
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 25/03/2021'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum
'Al2 Ca0.38 Fe0.78 H18 Mg0.08 Mn2.61 O26 P4 Zn0.15'
_chemical_formula_weight                 825.9
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_symmetry_space_group_name_H-M           'P 1 2/a 1'
_symmetry_space_group_name_Hall          '-P 2ya'
_symmetry_Int_Tables_number              13

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x+1/2,y,-z
 3   -x,-y,-z
 4   x+1/2,-y,z

_cell_length_a                           15.024(3)
_cell_length_b                           6.9470(14)
_cell_length_c                           9.999(2)
_cell_angle_alpha                        90
_cell_angle_beta                         110.71(3)
_cell_angle_gamma                        90
_cell_volume                             976.2(4)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
1 0.506(7)
1 0 0
0 1 0
0 0 1
2 0.494(7)
-1 0 0.4707
0 -1 0
0 0 1

_cell_formula_units_Z                    2

_cell_measurement_reflns_used            12205
_cell_measurement_theta_min              2.18
_cell_measurement_theta_max              32.01
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            2.8098
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     784

_exptl_absorpt_coefficient_mu            3.061
_exptl_crystal_description               lath
_exptl_crystal_size_max                  0.10
_exptl_crystal_size_mid                  0.02
_exptl_crystal_size_min                  0.02
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    ?
_exptl_absorpt_correction_type           ?
_exptl_absorpt_process_details           ?
_exptl_absorpt_correction_T_min          ?
_exptl_absorpt_correction_T_max          ?
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'synchrotron'
_diffrn_radiation_source                 'synchrotron'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          ?
_diffrn_measurement_device               synchrotron
_diffrn_measurement_device_type          "image plate"
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               ?
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    12205
_diffrn_reflns_theta_min                 2.18
_diffrn_reflns_theta_max                 32.01
_diffrn_reflns_theta_full                28.81
_diffrn_measured_fraction_theta_max      0.85
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0653
_diffrn_reflns_av_unetI/netI             0.0301
_diffrn_reflns_limit_h_min               -21
_diffrn_reflns_limit_h_max               21
_diffrn_reflns_limit_k_min               -9
_diffrn_reflns_limit_k_max               9
_diffrn_reflns_limit_l_min               -14
_diffrn_reflns_limit_l_max               14
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     2626
_reflns_number_gt                        2014
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         F
_refine_ls_R_factor_gt                   0.0519
_refine_ls_wR_factor_gt                  0.0571
_refine_ls_R_factor_all                  0.0643
_refine_ls_wR_factor_ref                 0.0588
_refine_ls_goodness_of_fit_ref           2.15
_refine_ls_goodness_of_fit_gt            2.41
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 2626
_refine_ls_number_parameters             170
_refine_ls_number_restraints             0
_refine_ls_number_constraints            5
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(F)+0.0001F²)'
_refine_ls_hydrogen_treatment            'constr'
_refine_ls_shift/su_max                  0.0039
_refine_ls_shift/su_mean                 0.0006
_refine_diff_density_max                 0.78
_refine_diff_density_min                 -0.66
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_extinction_expression         ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Al   0.0645  0.0514
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Ca   0.2262  0.3064
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Fe   0.3463  0.8444
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 H    0.0000  0.0000
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Mg   0.0486  0.0363
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Mn   0.3368  0.7283
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.1023  0.0942
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Zn   0.2839  1.4301
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  X1 Mn 0.25 0.96968(12) 0 Uani 0.0394(3) 2 0.6 d . . .
  X2 Ca 0.25 0.96968(12) 0 Uani 0.0394(3) 2 0.4 d . . .
  M1 Mn 0.25 0.47065(10) 0 Uani 0.0330(2) 2 1 d . . .
  Mn2a Mn 0.5 0 0.5 Uani 0.0352(3) 2 1 d . . .
  Mn2b Mn 0.25 0.50296(9) 0.5 Uani 0.0331(3) 2 1 d . . .
  M3a Al 0 0 0 Uani 0.0269(4) 2 1 d . . .
  M3b Al 0 0.5 0 Uani 0.0268(4) 2 1 d . . .
  P1 P 0.17732(6) 0.25595(11) 0.18623(8) Uani 0.0308(3) 4 1 d . . .
  P2 P 0.08098(7) 0.75109(11) 0.80545(8) Uani 0.0311(3) 4 1 d . . .
  O1 O 0.26715(20) 0.2140(4) 0.1480(3) Uani 0.0459(10) 4 1 d . . .
  O2 O 0.20362(19) 0.2917(3) 0.3442(2) Uani 0.0398(9) 4 1 d . . .
  O3 O 0.1114(2) 0.0836(3) 0.1459(3) Uani 0.0515(10) 4 1 d . . .
  O4 O 0.13335(16) 0.4340(3) 0.0917(2) Uani 0.0331(8) 4 1 d . . .
  O5 O 0.18813(18) 0.7016(3) 0.8571(2) Uani 0.0399(9) 4 1 d . . .
  O6 O 0.04640(18) 0.7824(3) 0.6442(2) Uani 0.0382(9) 4 1 d . . .
  O7 O 0.07743(19) 0.9348(3) 0.8888(3) Uani 0.0450(10) 4 1 d . . .
  O8 O 0.02530(16) 0.5866(3) 0.8387(2) Uani 0.0342(8) 4 1 d . . .
  O9 O 0.02222(17) 0.7492(3) 0.0835(2) Uani 0.0316(8) 4 1 d . . .
  O10 O 0.2259(2) 0.7366(4) 0.3413(3) Uani 0.0544(12) 4 1 d . . .
  O11 O 0.4478(2) 0.2199(4) 0.3437(3) Uani 0.0568(12) 4 1 d . . .
  O12 O 0.6329(2) 0.9990(3) 0.4712(3) Uani 0.0485(11) 4 1 d . . .
  O13 O 0.3951(2) 0.5137(3) 0.5116(3) Uani 0.0469(10) 4 1 d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  X1 X2 . . 0 ?
  X1 M1 . . 3.4668(18) ?
  X1 M1 . 1_565 3.4802(18) ?
  X1 M3a . 1_565 3.7619(15) ?
  X1 M3a . 2_565 3.7619(15) ?
  X1 P1 . 1_565 3.1707(13) ?
  X1 P1 . 2_565 3.1707(13) ?
  X1 P2 . 1_554 3.0074(18) ?
  X1 P2 . 2_556 3.0074(18) ?
  X1 O1 . 1_565 2.207(3) ?
  X1 O1 . 2_565 2.207(3) ?
  X1 O3 . 1_565 3.039(3) ?
  X1 O3 . 2_565 3.039(3) ?
  X1 O5 . 1_554 2.331(2) ?
  X1 O5 . 2_556 2.331(2) ?
  X1 O7 . 1_554 2.445(3) ?
  X1 O7 . 2_556 2.445(3) ?
  X2 M1 . . 3.4668(18) ?
  X2 M1 . 1_565 3.4802(18) ?
  X2 Mn2a . 1_565 5.086(3) ?
  X2 Mn2a . 2_565 5.086(3) ?
  X2 M3a . 1_565 3.7619(15) ?
  X2 M3a . 2_565 3.7619(15) ?
  X2 M3b . . 4.9753(15) ?
  X2 M3b . 1_565 5.2612(16) ?
  X2 M3b . 2_555 4.9753(15) ?
  X2 M3b . 2_565 5.2612(16) ?
  X2 P1 . 1_565 3.1707(13) ?
  X2 P1 . 2_565 3.1707(13) ?
  X2 P2 . 1_554 3.0074(18) ?
  X2 P2 . 2_556 3.0074(18) ?
  X2 O1 . 1_565 2.207(3) ?
  X2 O1 . 2_565 2.207(3) ?
  X2 O3 . 1_565 3.039(3) ?
  X2 O3 . 2_565 3.039(3) ?
  X2 O4 . 1_565 3.931(3) ?
  X2 O4 . 2_565 3.931(3) ?
  X2 O5 . 1_554 2.331(2) ?
  X2 O5 . 2_556 2.331(2) ?
  X2 O7 . 1_554 2.445(3) ?
  X2 O7 . 2_556 2.445(3) ?
  X2 O10 . . 3.908(4) ?
  X2 O10 . 2_555 3.908(4) ?
  M1 M3b . . 3.7615(15) ?
  M1 M3b . 2_555 3.7615(15) ?
  M1 P1 . . 2.8849(13) ?
  M1 P1 . 2_555 2.8849(13) ?
  M1 P2 . 1_554 3.2457(17) ?
  M1 P2 . 2_556 3.2457(17) ?
  M1 O1 . . 2.273(3) ?
  M1 O1 . 2_555 2.273(3) ?
  M1 O4 . . 2.261(3) ?
  M1 O4 . 2_555 2.261(3) ?
  M1 O5 . 1_554 2.131(2) ?
  M1 O5 . 2_556 2.131(2) ?
  M1 O8 . 1_554 3.286(3) ?
  M1 O8 . 2_556 3.286(3) ?
  Mn2a P2 . 2_546 3.3422(16) ?
  Mn2a P2 . 4_565 3.3422(16) ?
  Mn2a O6 . 2_546 2.035(2) ?
  Mn2a O6 . 4_565 2.035(2) ?
  Mn2a O11 . . 2.127(3) ?
  Mn2a O11 . 3_656 2.127(3) ?
  Mn2a O12 . 1_545 2.116(4) ?
  Mn2a O12 . 3_666 2.116(4) ?
  Mn2b P1 . . 3.3996(16) ?
  Mn2b P1 . 2_556 3.3996(16) ?
  Mn2b O2 . . 2.073(2) ?
  Mn2b O2 . 2_556 2.073(2) ?
  Mn2b O10 . . 2.208(3) ?
  Mn2b O10 . 2_556 2.208(3) ?
  Mn2b O13 . . 2.144(3) ?
  Mn2b O13 . 2_556 2.144(3) ?
  M3a M3b . 1_545 3.4735(14) ?
  M3a M3b . . 3.4735(14) ?
  M3a P1 . . 3.1965(17) ?
  M3a P1 . 3_555 3.1965(17) ?
  M3a P2 . 1_544 3.1509(13) ?
  M3a P2 . 3_566 3.1509(13) ?
  M3a O3 . . 1.881(3) ?
  M3a O3 . 3_555 1.881(3) ?
  M3a O7 . 1_544 1.926(3) ?
  M3a O7 . 3_566 1.926(3) ?
  M3a O9 . 1_545 1.909(2) ?
  M3a O9 . 3_565 1.909(2) ?
  M3b P1 . . 3.1512(17) ?
  M3b P1 . 3_565 3.1512(17) ?
  M3b P2 . 1_554 3.1593(13) ?
  M3b P2 . 3_566 3.1593(13) ?
  M3b O4 . . 1.940(2) ?
  M3b O4 . 3_565 1.940(2) ?
  M3b O8 . 1_554 1.882(3) ?
  M3b O8 . 3_566 1.882(3) ?
  M3b O9 . . 1.900(2) ?
  M3b O9 . 3_565 1.900(2) ?
  P1 O1 . . 1.555(3) ?
  P1 O2 . . 1.507(2) ?
  P1 O3 . . 1.515(3) ?
  P1 O4 . . 1.555(2) ?
  P2 O5 . . 1.546(3) ?
  P2 O6 . . 1.524(2) ?
  P2 O7 . . 1.535(3) ?
  P2 O8 . . 1.521(3) ?
  O1 O3 . . 2.502(4) ?
  O1 O4 . . 2.427(4) ?
  O2 O3 . . 2.450(3) ?
  O5 O6 . . 2.485(3) ?
  O5 O7 . . 2.422(4) ?
  O6 O8 . . 2.483(4) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  X2 X1 M1 . . . 0 ?
  X2 X1 M1 . . 1_565 0 ?
  X2 X1 M3a . . 1_565 0 ?
  X2 X1 M3a . . 2_565 0 ?
  X2 X1 P1 . . 1_565 0 ?
  X2 X1 P1 . . 2_565 0 ?
  X2 X1 P2 . . 1_554 0 ?
  X2 X1 P2 . . 2_556 0 ?
  X2 X1 O1 . . 1_565 0 ?
  X2 X1 O1 . . 2_565 0 ?
  X2 X1 O3 . . 1_565 0 ?
  X2 X1 O3 . . 2_565 0 ?
  X2 X1 O5 . . 1_554 0 ?
  X2 X1 O5 . . 2_556 0 ?
  X2 X1 O7 . . 1_554 0 ?
  X2 X1 O7 . . 2_556 0 ?
  M1 X1 M1 . . 1_565 180 ?
  M1 X1 M3a . . 1_565 93.210(13) ?
  M1 X1 M3a . . 2_565 93.210(13) ?
  M1 X1 P1 . . 1_565 128.85(2) ?
  M1 X1 P1 . . 2_565 128.85(2) ?
  M1 X1 P2 . . 1_554 59.67(2) ?
  M1 X1 P2 . . 2_556 59.67(2) ?
  M1 X1 O1 . . 1_565 140.29(7) ?
  M1 X1 O1 . . 2_565 140.29(7) ?
  M1 X1 O3 . . 1_565 105.09(5) ?
  M1 X1 O3 . . 2_565 105.09(5) ?
  M1 X1 O5 . . 1_554 36.97(6) ?
  M1 X1 O5 . . 2_556 36.97(6) ?
  M1 X1 O7 . . 1_554 84.31(6) ?
  M1 X1 O7 . . 2_556 84.31(6) ?
  M1 X1 M3a 1_565 . 1_565 86.790(13) ?
  M1 X1 M3a 1_565 . 2_565 86.790(13) ?
  M1 X1 P1 1_565 . 1_565 51.15(2) ?
  M1 X1 P1 1_565 . 2_565 51.15(2) ?
  M1 X1 P2 1_565 . 1_554 120.33(2) ?
  M1 X1 P2 1_565 . 2_556 120.33(2) ?
  M1 X1 O1 1_565 . 1_565 39.71(7) ?
  M1 X1 O1 1_565 . 2_565 39.71(7) ?
  M1 X1 O3 1_565 . 1_565 74.91(5) ?
  M1 X1 O3 1_565 . 2_565 74.91(5) ?
  M1 X1 O5 1_565 . 1_554 143.03(6) ?
  M1 X1 O5 1_565 . 2_556 143.03(6) ?
  M1 X1 O7 1_565 . 1_554 95.69(6) ?
  M1 X1 O7 1_565 . 2_556 95.69(6) ?
  M3a X1 M3a 1_565 . 2_565 173.58(3) ?
  M3a X1 P1 1_565 . 1_565 54.10(2) ?
  M3a X1 P1 1_565 . 2_565 121.07(3) ?
  M3a X1 P2 1_565 . 1_554 54.10(3) ?
  M3a X1 P2 1_565 . 2_556 130.01(3) ?
  M3a X1 O1 1_565 . 1_565 80.60(8) ?
  M3a X1 O1 1_565 . 2_565 94.43(8) ?
  M3a X1 O3 1_565 . 1_565 29.76(5) ?
  M3a X1 O3 1_565 . 2_565 147.03(5) ?
  M3a X1 O5 1_565 . 1_554 82.13(7) ?
  M3a X1 O5 1_565 . 2_556 103.08(7) ?
  M3a X1 O7 1_565 . 1_554 26.80(7) ?
  M3a X1 O7 1_565 . 2_556 154.65(7) ?
  M3a X1 P1 2_565 . 1_565 121.07(3) ?
  M3a X1 P1 2_565 . 2_565 54.10(2) ?
  M3a X1 P2 2_565 . 1_554 130.01(3) ?
  M3a X1 P2 2_565 . 2_556 54.10(3) ?
  M3a X1 O1 2_565 . 1_565 94.43(8) ?
  M3a X1 O1 2_565 . 2_565 80.60(8) ?
  M3a X1 O3 2_565 . 1_565 147.03(5) ?
  M3a X1 O3 2_565 . 2_565 29.76(5) ?
  M3a X1 O5 2_565 . 1_554 103.08(7) ?
  M3a X1 O5 2_565 . 2_556 82.13(7) ?
  M3a X1 O7 2_565 . 1_554 154.65(7) ?
  M3a X1 O7 2_565 . 2_556 26.80(7) ?
  P1 X1 P1 1_565 . 2_565 102.31(4) ?
  P1 X1 P2 1_565 . 1_554 108.01(3) ?
  P1 X1 P2 1_565 . 2_556 108.92(3) ?
  P1 X1 O1 1_565 . 1_565 26.66(8) ?
  P1 X1 O1 1_565 . 2_565 85.91(8) ?
  P1 X1 O3 1_565 . 1_565 28.14(5) ?
  P1 X1 O3 1_565 . 2_565 123.72(6) ?
  P1 X1 O5 1_565 . 1_554 135.69(8) ?
  P1 X1 O5 1_565 . 2_556 106.66(7) ?
  P1 X1 O7 1_565 . 1_554 78.42(7) ?
  P1 X1 O7 1_565 . 2_556 108.98(7) ?
  P1 X1 P2 2_565 . 1_554 108.92(3) ?
  P1 X1 P2 2_565 . 2_556 108.01(3) ?
  P1 X1 O1 2_565 . 1_565 85.91(8) ?
  P1 X1 O1 2_565 . 2_565 26.66(8) ?
  P1 X1 O3 2_565 . 1_565 123.72(6) ?
  P1 X1 O3 2_565 . 2_565 28.14(5) ?
  P1 X1 O5 2_565 . 1_554 106.66(7) ?
  P1 X1 O5 2_565 . 2_556 135.69(8) ?
  P1 X1 O7 2_565 . 1_554 108.98(7) ?
  P1 X1 O7 2_565 . 2_556 78.42(7) ?
  P2 X1 P2 1_554 . 2_556 119.35(4) ?
  P2 X1 O1 1_554 . 1_565 133.94(8) ?
  P2 X1 O1 1_554 . 2_565 94.76(7) ?
  P2 X1 O3 1_554 . 1_565 82.92(5) ?
  P2 X1 O3 1_554 . 2_565 112.72(5) ?
  P2 X1 O5 1_554 . 1_554 30.43(7) ?
  P2 X1 O5 1_554 . 2_556 93.18(7) ?
  P2 X1 O7 1_554 . 1_554 30.55(6) ?
  P2 X1 O7 1_554 . 2_556 139.56(7) ?
  P2 X1 O1 2_556 . 1_565 94.76(7) ?
  P2 X1 O1 2_556 . 2_565 133.94(8) ?
  P2 X1 O3 2_556 . 1_565 112.72(5) ?
  P2 X1 O3 2_556 . 2_565 82.92(5) ?
  P2 X1 O5 2_556 . 1_554 93.18(7) ?
  P2 X1 O5 2_556 . 2_556 30.43(7) ?
  P2 X1 O7 2_556 . 1_554 139.56(7) ?
  P2 X1 O7 2_556 . 2_556 30.55(6) ?
  O1 X1 O1 1_565 . 2_565 79.42(10) ?
  O1 X1 O3 1_565 . 1_565 54.21(9) ?
  O1 X1 O3 1_565 . 2_565 100.62(10) ?
  O1 X1 O5 1_565 . 1_554 162.25(11) ?
  O1 X1 O5 1_565 . 2_556 106.07(9) ?
  O1 X1 O7 1_565 . 1_554 103.58(10) ?
  O1 X1 O7 1_565 . 2_556 85.28(9) ?
  O1 X1 O3 2_565 . 1_565 100.62(10) ?
  O1 X1 O3 2_565 . 2_565 54.21(9) ?
  O1 X1 O5 2_565 . 1_554 106.07(9) ?
  O1 X1 O5 2_565 . 2_556 162.25(11) ?
  O1 X1 O7 2_565 . 1_554 85.28(9) ?
  O1 X1 O7 2_565 . 2_556 103.58(10) ?
  O3 X1 O3 1_565 . 2_565 149.82(7) ?
  O3 X1 O5 1_565 . 1_554 108.04(9) ?
  O3 X1 O5 1_565 . 2_556 96.10(9) ?
  O3 X1 O7 1_565 . 1_554 56.48(8) ?
  O3 X1 O7 1_565 . 2_556 127.15(8) ?
  O3 X1 O5 2_565 . 1_554 96.10(9) ?
  O3 X1 O5 2_565 . 2_556 108.04(9) ?
  O3 X1 O7 2_565 . 1_554 127.15(8) ?
  O3 X1 O7 2_565 . 2_556 56.48(8) ?
  O5 X1 O5 1_554 . 2_556 73.94(8) ?
  O5 X1 O7 1_554 . 1_554 60.87(9) ?
  O5 X1 O7 1_554 . 2_556 109.16(9) ?
  O5 X1 O7 2_556 . 1_554 109.16(9) ?
  O5 X1 O7 2_556 . 2_556 60.87(9) ?
  O7 X1 O7 1_554 . 2_556 168.62(9) ?
  X1 X2 M1 . . . 0 ?
  X1 X2 M1 . . 1_565 0 ?
  X1 X2 Mn2a . . 1_565 0 ?
  X1 X2 Mn2a . . 2_565 0 ?
  X1 X2 M3a . . 1_565 0 ?
  X1 X2 M3a . . 2_565 0 ?
  X1 X2 M3b . . . 0 ?
  X1 X2 M3b . . 1_565 0 ?
  X1 X2 M3b . . 2_555 0 ?
  X1 X2 M3b . . 2_565 0 ?
  X1 X2 P1 . . 1_565 0 ?
  X1 X2 P1 . . 2_565 0 ?
  X1 X2 P2 . . 1_554 0 ?
  X1 X2 P2 . . 2_556 0 ?
  X1 X2 O1 . . 1_565 0 ?
  X1 X2 O1 . . 2_565 0 ?
  X1 X2 O3 . . 1_565 0 ?
  X1 X2 O3 . . 2_565 0 ?
  X1 X2 O4 . . 1_565 0 ?
  X1 X2 O4 . . 2_565 0 ?
  X1 X2 O5 . . 1_554 0 ?
  X1 X2 O5 . . 2_556 0 ?
  X1 X2 O7 . . 1_554 0 ?
  X1 X2 O7 . . 2_556 0 ?
  X1 X2 O10 . . . 0 ?
  X1 X2 O10 . . 2_555 0 ?
  M1 X2 M1 . . 1_565 180 ?
  M1 X2 Mn2a . . 1_565 92.374(9) ?
  M1 X2 Mn2a . . 2_565 92.374(9) ?
  M1 X2 M3a . . 1_565 93.210(13) ?
  M1 X2 M3a . . 2_565 93.210(13) ?
  M1 X2 M3b . . . 49.019(11) ?
  M1 X2 M3b . . 1_565 134.447(10) ?
  M1 X2 M3b . . 2_555 49.019(11) ?
  M1 X2 M3b . . 2_565 134.447(10) ?
  M1 X2 P1 . . 1_565 128.85(2) ?
  M1 X2 P1 . . 2_565 128.85(2) ?
  M1 X2 P2 . . 1_554 59.67(2) ?
  M1 X2 P2 . . 2_556 59.67(2) ?
  M1 X2 O1 . . 1_565 140.29(7) ?
  M1 X2 O1 . . 2_565 140.29(7) ?
  M1 X2 O3 . . 1_565 105.09(5) ?
  M1 X2 O3 . . 2_565 105.09(5) ?
  M1 X2 O4 . . 1_565 145.14(4) ?
  M1 X2 O4 . . 2_565 145.14(4) ?
  M1 X2 O5 . . 1_554 36.97(6) ?
  M1 X2 O5 . . 2_556 36.97(6) ?
  M1 X2 O7 . . 1_554 84.31(6) ?
  M1 X2 O7 . . 2_556 84.31(6) ?
  M1 X2 O10 . . . 65.53(4) ?
  M1 X2 O10 . . 2_555 65.53(4) ?
  M1 X2 Mn2a 1_565 . 1_565 87.626(9) ?
  M1 X2 Mn2a 1_565 . 2_565 87.626(9) ?
  M1 X2 M3a 1_565 . 1_565 86.790(13) ?
  M1 X2 M3a 1_565 . 2_565 86.790(13) ?
  M1 X2 M3b 1_565 . . 130.981(11) ?
  M1 X2 M3b 1_565 . 1_565 45.553(10) ?
  M1 X2 M3b 1_565 . 2_555 130.981(11) ?
  M1 X2 M3b 1_565 . 2_565 45.553(10) ?
  M1 X2 P1 1_565 . 1_565 51.15(2) ?
  M1 X2 P1 1_565 . 2_565 51.15(2) ?
  M1 X2 P2 1_565 . 1_554 120.33(2) ?
  M1 X2 P2 1_565 . 2_556 120.33(2) ?
  M1 X2 O1 1_565 . 1_565 39.71(7) ?
  M1 X2 O1 1_565 . 2_565 39.71(7) ?
  M1 X2 O3 1_565 . 1_565 74.91(5) ?
  M1 X2 O3 1_565 . 2_565 74.91(5) ?
  M1 X2 O4 1_565 . 1_565 34.86(4) ?
  M1 X2 O4 1_565 . 2_565 34.86(4) ?
  M1 X2 O5 1_565 . 1_554 143.03(6) ?
  M1 X2 O5 1_565 . 2_556 143.03(6) ?
  M1 X2 O7 1_565 . 1_554 95.69(6) ?
  M1 X2 O7 1_565 . 2_556 95.69(6) ?
  M1 X2 O10 1_565 . . 114.47(4) ?
  M1 X2 O10 1_565 . 2_555 114.47(4) ?
  Mn2a X2 Mn2a 1_565 . 2_565 175.253(19) ?
  Mn2a X2 M3a 1_565 . 1_565 112.83(3) ?
  Mn2a X2 M3a 1_565 . 2_565 66.88(3) ?
  Mn2a X2 M3b 1_565 . . 108.80(2) ?
  Mn2a X2 M3b 1_565 . 1_565 104.48(2) ?
  Mn2a X2 M3b 1_565 . 2_555 74.46(2) ?
  Mn2a X2 M3b 1_565 . 2_565 72.06(2) ?
  Mn2a X2 P1 1_565 . 1_565 71.62(2) ?
  Mn2a X2 P1 1_565 . 2_565 105.27(3) ?
  Mn2a X2 P2 1_565 . 1_554 144.87(3) ?
  Mn2a X2 P2 1_565 . 2_556 39.10(2) ?
  Mn2a X2 O1 1_565 . 1_565 55.83(6) ?
  Mn2a X2 O1 1_565 . 2_565 119.87(6) ?
  Mn2a X2 O3 1_565 . 1_565 84.88(5) ?
  Mn2a X2 O3 1_565 . 2_565 93.88(5) ?
  Mn2a X2 O4 1_565 . 1_565 88.39(3) ?
  Mn2a X2 O4 1_565 . 2_565 87.71(3) ?
  Mn2a X2 O5 1_565 . 1_554 129.15(6) ?
  Mn2a X2 O5 1_565 . 2_556 55.59(5) ?
  Mn2a X2 O7 1_565 . 1_554 138.32(7) ?
  Mn2a X2 O7 1_565 . 2_556 42.38(7) ?
  Mn2a X2 O10 1_565 . . 54.76(5) ?
  Mn2a X2 O10 1_565 . 2_555 127.69(5) ?
  Mn2a X2 M3a 2_565 . 1_565 66.88(3) ?
  Mn2a X2 M3a 2_565 . 2_565 112.83(3) ?
  Mn2a X2 M3b 2_565 . . 74.46(2) ?
  Mn2a X2 M3b 2_565 . 1_565 72.06(2) ?
  Mn2a X2 M3b 2_565 . 2_555 108.80(2) ?
  Mn2a X2 M3b 2_565 . 2_565 104.48(2) ?
  Mn2a X2 P1 2_565 . 1_565 105.27(3) ?
  Mn2a X2 P1 2_565 . 2_565 71.62(2) ?
  Mn2a X2 P2 2_565 . 1_554 39.10(2) ?
  Mn2a X2 P2 2_565 . 2_556 144.87(3) ?
  Mn2a X2 O1 2_565 . 1_565 119.87(6) ?
  Mn2a X2 O1 2_565 . 2_565 55.83(6) ?
  Mn2a X2 O3 2_565 . 1_565 93.88(5) ?
  Mn2a X2 O3 2_565 . 2_565 84.88(5) ?
  Mn2a X2 O4 2_565 . 1_565 87.71(3) ?
  Mn2a X2 O4 2_565 . 2_565 88.39(3) ?
  Mn2a X2 O5 2_565 . 1_554 55.59(5) ?
  Mn2a X2 O5 2_565 . 2_556 129.15(6) ?
  Mn2a X2 O7 2_565 . 1_554 42.38(7) ?
  Mn2a X2 O7 2_565 . 2_556 138.32(7) ?
  Mn2a X2 O10 2_565 . . 127.69(5) ?
  Mn2a X2 O10 2_565 . 2_555 54.76(5) ?
  M3a X2 M3a 1_565 . 2_565 173.58(3) ?
  M3a X2 M3b 1_565 . . 44.191(10) ?
  M3a X2 M3b 1_565 . 1_565 41.237(10) ?
  M3a X2 M3b 1_565 . 2_555 142.23(2) ?
  M3a X2 M3b 1_565 . 2_565 132.34(2) ?
  M3a X2 P1 1_565 . 1_565 54.10(2) ?
  M3a X2 P1 1_565 . 2_565 121.07(3) ?
  M3a X2 P2 1_565 . 1_554 54.10(3) ?
  M3a X2 P2 1_565 . 2_556 130.01(3) ?
  M3a X2 O1 1_565 . 1_565 80.60(8) ?
  M3a X2 O1 1_565 . 2_565 94.43(8) ?
  M3a X2 O3 1_565 . 1_565 29.76(5) ?
  M3a X2 O3 1_565 . 2_565 147.03(5) ?
  M3a X2 O4 1_565 . 1_565 55.01(3) ?
  M3a X2 O4 1_565 . 2_565 118.79(4) ?
  M3a X2 O5 1_565 . 1_554 82.13(7) ?
  M3a X2 O5 1_565 . 2_556 103.08(7) ?
  M3a X2 O7 1_565 . 1_554 26.80(7) ?
  M3a X2 O7 1_565 . 2_556 154.65(7) ?
  M3a X2 O10 1_565 . . 67.82(6) ?
  M3a X2 O10 1_565 . 2_555 115.09(6) ?
  M3a X2 M3b 2_565 . . 142.23(2) ?
  M3a X2 M3b 2_565 . 1_565 132.34(2) ?
  M3a X2 M3b 2_565 . 2_555 44.191(10) ?
  M3a X2 M3b 2_565 . 2_565 41.237(10) ?
  M3a X2 P1 2_565 . 1_565 121.07(3) ?
  M3a X2 P1 2_565 . 2_565 54.10(2) ?
  M3a X2 P2 2_565 . 1_554 130.01(3) ?
  M3a X2 P2 2_565 . 2_556 54.10(3) ?
  M3a X2 O1 2_565 . 1_565 94.43(8) ?
  M3a X2 O1 2_565 . 2_565 80.60(8) ?
  M3a X2 O3 2_565 . 1_565 147.03(5) ?
  M3a X2 O3 2_565 . 2_565 29.76(5) ?
  M3a X2 O4 2_565 . 1_565 118.79(4) ?
  M3a X2 O4 2_565 . 2_565 55.01(3) ?
  M3a X2 O5 2_565 . 1_554 103.08(7) ?
  M3a X2 O5 2_565 . 2_556 82.13(7) ?
  M3a X2 O7 2_565 . 1_554 154.65(7) ?
  M3a X2 O7 2_565 . 2_556 26.80(7) ?
  M3a X2 O10 2_565 . . 115.09(6) ?
  M3a X2 O10 2_565 . 2_555 67.82(6) ?
  M3b X2 M3b . . 1_565 85.428(16) ?
  M3b X2 M3b . . 2_555 98.04(2) ?
  M3b X2 M3b . . 2_565 176.534(14) ?
  M3b X2 P1 . . 1_565 89.69(2) ?
  M3b X2 P1 . . 2_565 145.91(2) ?
  M3b X2 P2 . . 1_554 37.26(3) ?
  M3b X2 P2 . . 2_556 97.68(3) ?
  M3b X2 O1 . . 1_565 114.43(8) ?
  M3b X2 O1 . . 2_565 126.54(7) ?
  M3b X2 O3 . . 1_565 61.67(5) ?
  M3b X2 O3 . . 2_565 144.70(5) ?
  M3b X2 O4 . . 1_565 98.01(4) ?
  M3b X2 O4 . . 2_565 159.55(3) ?
  M3b X2 O5 . . 1_554 48.60(7) ?
  M3b X2 O5 . . 2_556 67.26(7) ?
  M3b X2 O7 . . 1_554 41.91(6) ?
  M3b X2 O7 . . 2_556 127.88(6) ?
  M3b X2 O10 . . . 54.92(5) ?
  M3b X2 O10 . . 2_555 91.80(5) ?
  M3b X2 M3b 1_565 . 2_555 176.534(14) ?
  M3b X2 M3b 1_565 . 2_565 91.11(2) ?
  M3b X2 P1 1_565 . 1_565 33.55(2) ?
  M3b X2 P1 1_565 . 2_565 87.42(3) ?
  M3b X2 P2 1_565 . 1_554 85.07(3) ?
  M3b X2 P2 1_565 . 2_556 142.47(3) ?
  M3b X2 O1 1_565 . 1_565 51.34(7) ?
  M3b X2 O1 1_565 . 2_565 63.08(8) ?
  M3b X2 O3 1_565 . 1_565 37.57(5) ?
  M3b X2 O3 1_565 . 2_565 115.34(5) ?
  M3b X2 O4 1_565 . 1_565 17.87(3) ?
  M3b X2 O4 1_565 . 2_565 78.61(4) ?
  M3b X2 O5 1_565 . 1_554 115.44(7) ?
  M3b X2 O5 1_565 . 2_556 133.58(7) ?
  M3b X2 O7 1_565 . 1_554 55.06(6) ?
  M3b X2 O7 1_565 . 2_556 135.37(6) ?
  M3b X2 O10 1_565 . . 90.20(5) ?
  M3b X2 O10 1_565 . 2_555 125.22(5) ?
  M3b X2 M3b 2_555 . 2_565 85.428(16) ?
  M3b X2 P1 2_555 . 1_565 145.91(2) ?
  M3b X2 P1 2_555 . 2_565 89.69(2) ?
  M3b X2 P2 2_555 . 1_554 97.68(3) ?
  M3b X2 P2 2_555 . 2_556 37.26(3) ?
  M3b X2 O1 2_555 . 1_565 126.54(7) ?
  M3b X2 O1 2_555 . 2_565 114.43(8) ?
  M3b X2 O3 2_555 . 1_565 144.70(5) ?
  M3b X2 O3 2_555 . 2_565 61.67(5) ?
  M3b X2 O4 2_555 . 1_565 159.55(3) ?
  M3b X2 O4 2_555 . 2_565 98.01(4) ?
  M3b X2 O5 2_555 . 1_554 67.26(7) ?
  M3b X2 O5 2_555 . 2_556 48.60(7) ?
  M3b X2 O7 2_555 . 1_554 127.88(6) ?
  M3b X2 O7 2_555 . 2_556 41.91(6) ?
  M3b X2 O10 2_555 . . 91.80(5) ?
  M3b X2 O10 2_555 . 2_555 54.92(5) ?
  M3b X2 P1 2_565 . 1_565 87.42(3) ?
  M3b X2 P1 2_565 . 2_565 33.55(2) ?
  M3b X2 P2 2_565 . 1_554 142.47(3) ?
  M3b X2 P2 2_565 . 2_556 85.07(3) ?
  M3b X2 O1 2_565 . 1_565 63.08(8) ?
  M3b X2 O1 2_565 . 2_565 51.34(7) ?
  M3b X2 O3 2_565 . 1_565 115.34(5) ?
  M3b X2 O3 2_565 . 2_565 37.57(5) ?
  M3b X2 O4 2_565 . 1_565 78.61(4) ?
  M3b X2 O4 2_565 . 2_565 17.87(3) ?
  M3b X2 O5 2_565 . 1_554 133.58(7) ?
  M3b X2 O5 2_565 . 2_556 115.44(7) ?
  M3b X2 O7 2_565 . 1_554 135.37(6) ?
  M3b X2 O7 2_565 . 2_556 55.06(6) ?
  M3b X2 O10 2_565 . . 125.22(5) ?
  M3b X2 O10 2_565 . 2_555 90.20(5) ?
  P1 X2 P1 1_565 . 2_565 102.31(4) ?
  P1 X2 P2 1_565 . 1_554 108.01(3) ?
  P1 X2 P2 1_565 . 2_556 108.92(3) ?
  P1 X2 O1 1_565 . 1_565 26.66(8) ?
  P1 X2 O1 1_565 . 2_565 85.91(8) ?
  P1 X2 O3 1_565 . 1_565 28.14(5) ?
  P1 X2 O3 1_565 . 2_565 123.72(6) ?
  P1 X2 O4 1_565 . 1_565 22.15(4) ?
  P1 X2 O4 1_565 . 2_565 84.08(5) ?
  P1 X2 O5 1_565 . 1_554 135.69(8) ?
  P1 X2 O5 1_565 . 2_556 106.66(7) ?
  P1 X2 O7 1_565 . 1_554 78.42(7) ?
  P1 X2 O7 1_565 . 2_556 108.98(7) ?
  P1 X2 O10 1_565 . . 65.76(5) ?
  P1 X2 O10 1_565 . 2_555 158.46(5) ?
  P1 X2 P2 2_565 . 1_554 108.92(3) ?
  P1 X2 P2 2_565 . 2_556 108.01(3) ?
  P1 X2 O1 2_565 . 1_565 85.91(8) ?
  P1 X2 O1 2_565 . 2_565 26.66(8) ?
  P1 X2 O3 2_565 . 1_565 123.72(6) ?
  P1 X2 O3 2_565 . 2_565 28.14(5) ?
  P1 X2 O4 2_565 . 1_565 84.08(5) ?
  P1 X2 O4 2_565 . 2_565 22.15(4) ?
  P1 X2 O5 2_565 . 1_554 106.66(7) ?
  P1 X2 O5 2_565 . 2_556 135.69(8) ?
  P1 X2 O7 2_565 . 1_554 108.98(7) ?
  P1 X2 O7 2_565 . 2_556 78.42(7) ?
  P1 X2 O10 2_565 . . 158.46(5) ?
  P1 X2 O10 2_565 . 2_555 65.76(5) ?
  P2 X2 P2 1_554 . 2_556 119.35(4) ?
  P2 X2 O1 1_554 . 1_565 133.94(8) ?
  P2 X2 O1 1_554 . 2_565 94.76(7) ?
  P2 X2 O3 1_554 . 1_565 82.92(5) ?
  P2 X2 O3 1_554 . 2_565 112.72(5) ?
  P2 X2 O4 1_554 . 1_565 102.77(4) ?
  P2 X2 O4 1_554 . 2_565 127.42(4) ?
  P2 X2 O5 1_554 . 1_554 30.43(7) ?
  P2 X2 O5 1_554 . 2_556 93.18(7) ?
  P2 X2 O7 1_554 . 1_554 30.55(6) ?
  P2 X2 O7 1_554 . 2_556 139.56(7) ?
  P2 X2 O10 1_554 . . 92.17(5) ?
  P2 X2 O10 1_554 . 2_555 62.85(6) ?
  P2 X2 O1 2_556 . 1_565 94.76(7) ?
  P2 X2 O1 2_556 . 2_565 133.94(8) ?
  P2 X2 O3 2_556 . 1_565 112.72(5) ?
  P2 X2 O3 2_556 . 2_565 82.92(5) ?
  P2 X2 O4 2_556 . 1_565 127.42(4) ?
  P2 X2 O4 2_556 . 2_565 102.77(4) ?
  P2 X2 O5 2_556 . 1_554 93.18(7) ?
  P2 X2 O5 2_556 . 2_556 30.43(7) ?
  P2 X2 O7 2_556 . 1_554 139.56(7) ?
  P2 X2 O7 2_556 . 2_556 30.55(6) ?
  P2 X2 O10 2_556 . . 62.85(6) ?
  P2 X2 O10 2_556 . 2_555 92.17(5) ?
  O1 X2 O1 1_565 . 2_565 79.42(10) ?
  O1 X2 O3 1_565 . 1_565 54.21(9) ?
  O1 X2 O3 1_565 . 2_565 100.62(10) ?
  O1 X2 O4 1_565 . 1_565 33.72(7) ?
  O1 X2 O4 1_565 . 2_565 64.48(9) ?
  O1 X2 O5 1_565 . 1_554 162.25(11) ?
  O1 X2 O5 1_565 . 2_556 106.07(9) ?
  O1 X2 O7 1_565 . 1_554 103.58(10) ?
  O1 X2 O7 1_565 . 2_556 85.28(9) ?
  O1 X2 O10 1_565 . . 75.99(8) ?
  O1 X2 O10 1_565 . 2_555 151.59(9) ?
  O1 X2 O3 2_565 . 1_565 100.62(10) ?
  O1 X2 O3 2_565 . 2_565 54.21(9) ?
  O1 X2 O4 2_565 . 1_565 64.48(9) ?
  O1 X2 O4 2_565 . 2_565 33.72(7) ?
  O1 X2 O5 2_565 . 1_554 106.07(9) ?
  O1 X2 O5 2_565 . 2_556 162.25(11) ?
  O1 X2 O7 2_565 . 1_554 85.28(9) ?
  O1 X2 O7 2_565 . 2_556 103.58(10) ?
  O1 X2 O10 2_565 . . 151.59(9) ?
  O1 X2 O10 2_565 . 2_555 75.99(8) ?
  O3 X2 O3 1_565 . 2_565 149.82(7) ?
  O3 X2 O4 1_565 . 1_565 40.26(6) ?
  O3 X2 O4 1_565 . 2_565 109.63(6) ?
  O3 X2 O5 1_565 . 1_554 108.04(9) ?
  O3 X2 O5 1_565 . 2_556 96.10(9) ?
  O3 X2 O7 1_565 . 1_554 56.48(8) ?
  O3 X2 O7 1_565 . 2_556 127.15(8) ?
  O3 X2 O10 1_565 . . 53.00(7) ?
  O3 X2 O10 1_565 . 2_555 144.85(7) ?
  O3 X2 O4 2_565 . 1_565 109.63(6) ?
  O3 X2 O4 2_565 . 2_565 40.26(6) ?
  O3 X2 O5 2_565 . 1_554 96.10(9) ?
  O3 X2 O5 2_565 . 2_556 108.04(9) ?
  O3 X2 O7 2_565 . 1_554 127.15(8) ?
  O3 X2 O7 2_565 . 2_556 56.48(8) ?
  O3 X2 O10 2_565 . . 144.85(7) ?
  O3 X2 O10 2_565 . 2_555 53.00(7) ?
  O4 X2 O4 1_565 . 2_565 69.72(5) ?
  O4 X2 O5 1_565 . 1_554 133.19(7) ?
  O4 X2 O5 1_565 . 2_556 128.80(7) ?
  O4 X2 O7 1_565 . 1_554 72.48(7) ?
  O4 X2 O7 1_565 . 2_556 117.64(7) ?
  O4 X2 O10 1_565 . . 87.12(6) ?
  O4 X2 O10 1_565 . 2_555 136.90(5) ?
  O4 X2 O5 2_565 . 1_554 128.80(7) ?
  O4 X2 O5 2_565 . 2_556 133.19(7) ?
  O4 X2 O7 2_565 . 1_554 117.64(7) ?
  O4 X2 O7 2_565 . 2_556 72.48(7) ?
  O4 X2 O10 2_565 . . 136.90(5) ?
  O4 X2 O10 2_565 . 2_555 87.12(6) ?
  O5 X2 O5 1_554 . 2_556 73.94(8) ?
  O5 X2 O7 1_554 . 1_554 60.87(9) ?
  O5 X2 O7 1_554 . 2_556 109.16(9) ?
  O5 X2 O10 1_554 . . 93.68(8) ?
  O5 X2 O10 1_554 . 2_555 43.43(9) ?
  O5 X2 O7 2_556 . 1_554 109.16(9) ?
  O5 X2 O7 2_556 . 2_556 60.87(9) ?
  O5 X2 O10 2_556 . . 43.43(9) ?
  O5 X2 O10 2_556 . 2_555 93.68(8) ?
  O7 X2 O7 1_554 . 2_556 168.62(9) ?
  O7 X2 O10 1_554 . . 86.86(8) ?
  O7 X2 O10 1_554 . 2_555 88.43(9) ?
  O7 X2 O10 2_556 . . 88.43(9) ?
  O7 X2 O10 2_556 . 2_555 86.86(8) ?
  O10 X2 O10 . . 2_555 131.05(6) ?
  X1 M1 X1 1_545 . . 180 ?
  X1 M1 X2 1_545 . 1_545 0 ?
  X1 M1 X2 1_545 . . 180 ?
  X1 M1 M3b 1_545 . . 93.107(11) ?
  X1 M1 M3b 1_545 . 2_555 93.107(11) ?
  X1 M1 P1 1_545 . . 58.87(2) ?
  X1 M1 P1 1_545 . 2_555 58.87(2) ?
  X1 M1 P2 1_545 . 1_554 126.89(2) ?
  X1 M1 P2 1_545 . 2_556 126.89(2) ?
  X1 M1 O1 1_545 . . 38.34(7) ?
  X1 M1 O1 1_545 . 2_555 38.34(7) ?
  X1 M1 O4 1_545 . . 83.53(6) ?
  X1 M1 O4 1_545 . 2_555 83.53(6) ?
  X1 M1 O5 1_545 . 1_554 138.84(6) ?
  X1 M1 O5 1_545 . 2_556 138.84(6) ?
  X1 M1 O8 1_545 . 1_554 104.19(4) ?
  X1 M1 O8 1_545 . 2_556 104.19(4) ?
  X1 M1 X2 . . 1_545 180 ?
  X1 M1 X2 . . . 0 ?
  X1 M1 M3b . . . 86.893(11) ?
  X1 M1 M3b . . 2_555 86.893(11) ?
  X1 M1 P1 . . . 121.13(2) ?
  X1 M1 P1 . . 2_555 121.13(2) ?
  X1 M1 P2 . . 1_554 53.11(2) ?
  X1 M1 P2 . . 2_556 53.11(2) ?
  X1 M1 O1 . . . 141.66(7) ?
  X1 M1 O1 . . 2_555 141.66(7) ?
  X1 M1 O4 . . . 96.47(6) ?
  X1 M1 O4 . . 2_555 96.47(6) ?
  X1 M1 O5 . . 1_554 41.16(6) ?
  X1 M1 O5 . . 2_556 41.16(6) ?
  X1 M1 O8 . . 1_554 75.81(4) ?
  X1 M1 O8 . . 2_556 75.81(4) ?
  X2 M1 X2 1_545 . . 180 ?
  X2 M1 M3b 1_545 . . 93.107(11) ?
  X2 M1 M3b 1_545 . 2_555 93.107(11) ?
  X2 M1 P1 1_545 . . 58.87(2) ?
  X2 M1 P1 1_545 . 2_555 58.87(2) ?
  X2 M1 P2 1_545 . 1_554 126.89(2) ?
  X2 M1 P2 1_545 . 2_556 126.89(2) ?
  X2 M1 O1 1_545 . . 38.34(7) ?
  X2 M1 O1 1_545 . 2_555 38.34(7) ?
  X2 M1 O4 1_545 . . 83.53(6) ?
  X2 M1 O4 1_545 . 2_555 83.53(6) ?
  X2 M1 O5 1_545 . 1_554 138.84(6) ?
  X2 M1 O5 1_545 . 2_556 138.84(6) ?
  X2 M1 O8 1_545 . 1_554 104.19(4) ?
  X2 M1 O8 1_545 . 2_556 104.19(4) ?
  X2 M1 M3b . . . 86.893(11) ?
  X2 M1 M3b . . 2_555 86.893(11) ?
  X2 M1 P1 . . . 121.13(2) ?
  X2 M1 P1 . . 2_555 121.13(2) ?
  X2 M1 P2 . . 1_554 53.11(2) ?
  X2 M1 P2 . . 2_556 53.11(2) ?
  X2 M1 O1 . . . 141.66(7) ?
  X2 M1 O1 . . 2_555 141.66(7) ?
  X2 M1 O4 . . . 96.47(6) ?
  X2 M1 O4 . . 2_555 96.47(6) ?
  X2 M1 O5 . . 1_554 41.16(6) ?
  X2 M1 O5 . . 2_556 41.16(6) ?
  X2 M1 O8 . . 1_554 75.81(4) ?
  X2 M1 O8 . . 2_556 75.81(4) ?
  M3b M1 M3b . . 2_555 173.79(2) ?
  M3b M1 P1 . . . 54.70(3) ?
  M3b M1 P1 . . 2_555 129.34(3) ?
  M3b M1 P2 . . 1_554 52.98(3) ?
  M3b M1 P2 . . 2_556 122.48(3) ?
  M3b M1 O1 . . . 85.74(8) ?
  M3b M1 O1 . . 2_555 99.17(8) ?
  M3b M1 O4 . . . 24.36(5) ?
  M3b M1 O4 . . 2_555 157.40(5) ?
  M3b M1 O5 . . 1_554 76.14(8) ?
  M3b M1 O5 . . 2_556 99.09(8) ?
  M3b M1 O8 . . 1_554 30.02(5) ?
  M3b M1 O8 . . 2_556 147.07(5) ?
  M3b M1 P1 2_555 . . 129.34(3) ?
  M3b M1 P1 2_555 . 2_555 54.70(3) ?
  M3b M1 P2 2_555 . 1_554 122.48(3) ?
  M3b M1 P2 2_555 . 2_556 52.98(3) ?
  M3b M1 O1 2_555 . . 99.17(8) ?
  M3b M1 O1 2_555 . 2_555 85.74(8) ?
  M3b M1 O4 2_555 . . 157.40(5) ?
  M3b M1 O4 2_555 . 2_555 24.36(5) ?
  M3b M1 O5 2_555 . 1_554 99.09(8) ?
  M3b M1 O5 2_555 . 2_556 76.14(8) ?
  M3b M1 O8 2_555 . 1_554 147.07(5) ?
  M3b M1 O8 2_555 . 2_556 30.02(5) ?
  P1 M1 P1 . . 2_555 117.74(4) ?
  P1 M1 P2 . . 1_554 107.62(3) ?
  P1 M1 P2 . . 2_556 108.54(3) ?
  P1 M1 O1 . . . 32.41(8) ?
  P1 M1 O1 . . 2_555 91.90(8) ?
  P1 M1 O4 . . . 32.39(6) ?
  P1 M1 O4 . . 2_555 136.72(6) ?
  P1 M1 O5 . . 1_554 130.33(8) ?
  P1 M1 O5 . . 2_556 97.55(8) ?
  P1 M1 O8 . . 1_554 83.45(5) ?
  P1 M1 O8 . . 2_556 111.57(5) ?
  P1 M1 P2 2_555 . 1_554 108.54(3) ?
  P1 M1 P2 2_555 . 2_556 107.62(3) ?
  P1 M1 O1 2_555 . . 91.90(8) ?
  P1 M1 O1 2_555 . 2_555 32.41(8) ?
  P1 M1 O4 2_555 . . 136.72(6) ?
  P1 M1 O4 2_555 . 2_555 32.39(6) ?
  P1 M1 O5 2_555 . 1_554 97.55(8) ?
  P1 M1 O5 2_555 . 2_556 130.33(8) ?
  P1 M1 O8 2_555 . 1_554 111.57(5) ?
  P1 M1 O8 2_555 . 2_556 83.45(5) ?
  P2 M1 P2 1_554 . 2_556 106.22(4) ?
  P2 M1 O1 1_554 . . 138.21(8) ?
  P2 M1 O1 1_554 . 2_555 101.30(6) ?
  P2 M1 O4 1_554 . . 75.89(6) ?
  P2 M1 O4 1_554 . 2_555 112.27(6) ?
  P2 M1 O5 1_554 . 1_554 23.48(8) ?
  P2 M1 O5 1_554 . 2_556 90.76(7) ?
  P2 M1 O8 1_554 . 1_554 26.92(4) ?
  P2 M1 O8 1_554 . 2_556 126.68(5) ?
  P2 M1 O1 2_556 . . 101.30(6) ?
  P2 M1 O1 2_556 . 2_555 138.21(8) ?
  P2 M1 O4 2_556 . . 112.27(6) ?
  P2 M1 O4 2_556 . 2_555 75.89(6) ?
  P2 M1 O5 2_556 . 1_554 90.76(7) ?
  P2 M1 O5 2_556 . 2_556 23.48(8) ?
  P2 M1 O8 2_556 . 1_554 126.68(5) ?
  P2 M1 O8 2_556 . 2_556 26.92(4) ?
  O1 M1 O1 . . 2_555 76.67(9) ?
  O1 M1 O4 . . . 64.74(10) ?
  O1 M1 O4 . . 2_555 104.48(10) ?
  O1 M1 O5 . . 1_554 161.70(11) ?
  O1 M1 O5 . . 2_556 103.40(9) ?
  O1 M1 O8 . . 1_554 111.85(9) ?
  O1 M1 O8 . . 2_556 90.71(8) ?
  O1 M1 O4 2_555 . . 104.48(10) ?
  O1 M1 O4 2_555 . 2_555 64.74(10) ?
  O1 M1 O5 2_555 . 1_554 103.40(9) ?
  O1 M1 O5 2_555 . 2_556 161.70(11) ?
  O1 M1 O8 2_555 . 1_554 90.71(8) ?
  O1 M1 O8 2_555 . 2_556 111.85(9) ?
  O4 M1 O4 . . 2_555 167.06(8) ?
  O4 M1 O5 . . 1_554 98.04(10) ?
  O4 M1 O5 . . 2_556 91.71(10) ?
  O4 M1 O8 . . 1_554 54.37(7) ?
  O4 M1 O8 . . 2_556 129.62(7) ?
  O4 M1 O5 2_555 . 1_554 91.71(10) ?
  O4 M1 O5 2_555 . 2_556 98.04(10) ?
  O4 M1 O8 2_555 . 1_554 129.62(7) ?
  O4 M1 O8 2_555 . 2_556 54.37(7) ?
  O5 M1 O5 1_554 . 2_556 82.31(9) ?
  O5 M1 O8 1_554 . 1_554 50.01(9) ?
  O5 M1 O8 1_554 . 2_556 105.87(8) ?
  O5 M1 O8 2_556 . 1_554 105.87(8) ?
  O5 M1 O8 2_556 . 2_556 50.01(9) ?
  O8 M1 O8 1_554 . 2_556 151.62(6) ?
  X2 Mn2a X2 1_545 . 3_666 180 ?
  X2 Mn2a P2 1_545 . 2_546 34.58(2) ?
  X2 Mn2a P2 1_545 . 4_565 145.42(2) ?
  X2 Mn2a O6 1_545 . 2_546 47.45(6) ?
  X2 Mn2a O6 1_545 . 4_565 132.55(6) ?
  X2 Mn2a O11 1_545 . . 49.86(7) ?
  X2 Mn2a O11 1_545 . 3_656 130.14(7) ?
  X2 Mn2a O12 1_545 . 1_545 105.69(8) ?
  X2 Mn2a O12 1_545 . 3_666 74.31(8) ?
  X2 Mn2a P2 3_666 . 2_546 145.42(2) ?
  X2 Mn2a P2 3_666 . 4_565 34.58(2) ?
  X2 Mn2a O6 3_666 . 2_546 132.55(6) ?
  X2 Mn2a O6 3_666 . 4_565 47.45(6) ?
  X2 Mn2a O11 3_666 . . 130.14(7) ?
  X2 Mn2a O11 3_666 . 3_656 49.86(7) ?
  X2 Mn2a O12 3_666 . 1_545 74.31(8) ?
  X2 Mn2a O12 3_666 . 3_666 105.69(8) ?
  P2 Mn2a P2 2_546 . 4_565 180 ?
  P2 Mn2a O6 2_546 . 2_546 17.29(7) ?
  P2 Mn2a O6 2_546 . 4_565 162.71(7) ?
  P2 Mn2a O11 2_546 . . 77.27(8) ?
  P2 Mn2a O11 2_546 . 3_656 102.73(8) ?
  P2 Mn2a O12 2_546 . 1_545 85.99(8) ?
  P2 Mn2a O12 2_546 . 3_666 94.01(8) ?
  P2 Mn2a O6 4_565 . 2_546 162.71(7) ?
  P2 Mn2a O6 4_565 . 4_565 17.29(7) ?
  P2 Mn2a O11 4_565 . . 102.73(8) ?
  P2 Mn2a O11 4_565 . 3_656 77.27(8) ?
  P2 Mn2a O12 4_565 . 1_545 94.01(8) ?
  P2 Mn2a O12 4_565 . 3_666 85.99(8) ?
  O6 Mn2a O6 2_546 . 4_565 180 ?
  O6 Mn2a O11 2_546 . . 93.91(10) ?
  O6 Mn2a O11 2_546 . 3_656 86.09(10) ?
  O6 Mn2a O12 2_546 . 1_545 90.25(11) ?
  O6 Mn2a O12 2_546 . 3_666 89.75(11) ?
  O6 Mn2a O11 4_565 . . 86.09(10) ?
  O6 Mn2a O11 4_565 . 3_656 93.91(10) ?
  O6 Mn2a O12 4_565 . 1_545 89.75(11) ?
  O6 Mn2a O12 4_565 . 3_666 90.25(11) ?
  O11 Mn2a O11 . . 3_656 180 ?
  O11 Mn2a O12 . . 1_545 91.29(12) ?
  O11 Mn2a O12 . . 3_666 88.71(12) ?
  O11 Mn2a O12 3_656 . 1_545 88.71(12) ?
  O11 Mn2a O12 3_656 . 3_666 91.29(12) ?
  O12 Mn2a O12 1_545 . 3_666 180 ?
  P1 Mn2b P1 . . 2_556 119.37(3) ?
  P1 Mn2b O2 . . . 15.50(7) ?
  P1 Mn2b O2 . . 2_556 104.41(7) ?
  P1 Mn2b O10 . . . 77.90(8) ?
  P1 Mn2b O10 . . 2_556 162.10(7) ?
  P1 Mn2b O13 . . . 93.21(8) ?
  P1 Mn2b O13 . . 2_556 88.80(8) ?
  P1 Mn2b O2 2_556 . . 104.41(7) ?
  P1 Mn2b O2 2_556 . 2_556 15.50(7) ?
  P1 Mn2b O10 2_556 . . 162.10(7) ?
  P1 Mn2b O10 2_556 . 2_556 77.90(8) ?
  P1 Mn2b O13 2_556 . . 88.80(8) ?
  P1 Mn2b O13 2_556 . 2_556 93.21(8) ?
  O2 Mn2b O2 . . 2_556 89.86(9) ?
  O2 Mn2b O10 . . . 93.12(10) ?
  O2 Mn2b O10 . . 2_556 170.49(12) ?
  O2 Mn2b O13 . . . 97.49(11) ?
  O2 Mn2b O13 . . 2_556 85.33(11) ?
  O2 Mn2b O10 2_556 . . 170.49(12) ?
  O2 Mn2b O10 2_556 . 2_556 93.12(10) ?
  O2 Mn2b O13 2_556 . . 85.33(11) ?
  O2 Mn2b O13 2_556 . 2_556 97.49(11) ?
  O10 Mn2b O10 . . 2_556 85.38(11) ?
  O10 Mn2b O13 . . . 85.32(12) ?
  O10 Mn2b O13 . . 2_556 91.75(12) ?
  O10 Mn2b O13 2_556 . . 91.75(12) ?
  O10 Mn2b O13 2_556 . 2_556 85.32(12) ?
  O13 Mn2b O13 . . 2_556 176.03(9) ?
  X1 M3a X1 1_545 . 3_565 180 ?
  X1 M3a X2 1_545 . 1_545 0 ?
  X1 M3a X2 1_545 . 3_565 180 ?
  X1 M3a M3b 1_545 . 1_545 86.790(13) ?
  X1 M3a M3b 1_545 . . 93.210(13) ?
  X1 M3a P1 1_545 . . 53.47(3) ?
  X1 M3a P1 1_545 . 3_555 126.53(3) ?
  X1 M3a P2 1_545 . 1_544 50.64(3) ?
  X1 M3a P2 1_545 . 3_566 129.36(3) ?
  X1 M3a O3 1_545 . . 53.33(10) ?
  X1 M3a O3 1_545 . 3_555 126.67(10) ?
  X1 M3a O7 1_545 . 1_544 34.91(7) ?
  X1 M3a O7 1_545 . 3_566 145.09(7) ?
  X1 M3a O9 1_545 . 1_545 85.92(8) ?
  X1 M3a O9 1_545 . 3_565 94.08(8) ?
  X1 M3a X2 3_565 . 1_545 180 ?
  X1 M3a X2 3_565 . 3_565 0 ?
  X1 M3a M3b 3_565 . 1_545 93.210(13) ?
  X1 M3a M3b 3_565 . . 86.790(13) ?
  X1 M3a P1 3_565 . . 126.53(3) ?
  X1 M3a P1 3_565 . 3_555 53.47(3) ?
  X1 M3a P2 3_565 . 1_544 129.36(3) ?
  X1 M3a P2 3_565 . 3_566 50.64(3) ?
  X1 M3a O3 3_565 . . 126.67(10) ?
  X1 M3a O3 3_565 . 3_555 53.33(10) ?
  X1 M3a O7 3_565 . 1_544 145.09(7) ?
  X1 M3a O7 3_565 . 3_566 34.91(7) ?
  X1 M3a O9 3_565 . 1_545 94.08(8) ?
  X1 M3a O9 3_565 . 3_565 85.92(8) ?
  X2 M3a X2 1_545 . 3_565 180 ?
  X2 M3a M3b 1_545 . 1_545 86.790(13) ?
  X2 M3a M3b 1_545 . . 93.210(13) ?
  X2 M3a P1 1_545 . . 53.47(3) ?
  X2 M3a P1 1_545 . 3_555 126.53(3) ?
  X2 M3a P2 1_545 . 1_544 50.64(3) ?
  X2 M3a P2 1_545 . 3_566 129.36(3) ?
  X2 M3a O3 1_545 . . 53.33(10) ?
  X2 M3a O3 1_545 . 3_555 126.67(10) ?
  X2 M3a O7 1_545 . 1_544 34.91(7) ?
  X2 M3a O7 1_545 . 3_566 145.09(7) ?
  X2 M3a O9 1_545 . 1_545 85.92(8) ?
  X2 M3a O9 1_545 . 3_565 94.08(8) ?
  X2 M3a M3b 3_565 . 1_545 93.210(13) ?
  X2 M3a M3b 3_565 . . 86.790(13) ?
  X2 M3a P1 3_565 . . 126.53(3) ?
  X2 M3a P1 3_565 . 3_555 53.47(3) ?
  X2 M3a P2 3_565 . 1_544 129.36(3) ?
  X2 M3a P2 3_565 . 3_566 50.64(3) ?
  X2 M3a O3 3_565 . . 126.67(10) ?
  X2 M3a O3 3_565 . 3_555 53.33(10) ?
  X2 M3a O7 3_565 . 1_544 145.09(7) ?
  X2 M3a O7 3_565 . 3_566 34.91(7) ?
  X2 M3a O9 3_565 . 1_545 94.08(8) ?
  X2 M3a O9 3_565 . 3_565 85.92(8) ?
  M3b M3a M3b 1_545 . . 180 ?
  M3b M3a P1 1_545 . . 123.798(17) ?
  M3b M3a P1 1_545 . 3_555 56.202(17) ?
  M3b M3a P2 1_545 . 1_544 56.717(17) ?
  M3b M3a P2 1_545 . 3_566 123.283(17) ?
  M3b M3a O3 1_545 . . 107.98(7) ?
  M3b M3a O3 1_545 . 3_555 72.02(7) ?
  M3b M3a O7 1_545 . 1_544 76.39(7) ?
  M3b M3a O7 1_545 . 3_566 103.61(7) ?
  M3b M3a O9 1_545 . 1_545 24.18(6) ?
  M3b M3a O9 1_545 . 3_565 155.82(6) ?
  M3b M3a P1 . . . 56.202(17) ?
  M3b M3a P1 . . 3_555 123.798(17) ?
  M3b M3a P2 . . 1_544 123.283(17) ?
  M3b M3a P2 . . 3_566 56.717(17) ?
  M3b M3a O3 . . . 72.02(7) ?
  M3b M3a O3 . . 3_555 107.98(7) ?
  M3b M3a O7 . . 1_544 103.61(7) ?
  M3b M3a O7 . . 3_566 76.39(7) ?
  M3b M3a O9 . . 1_545 155.82(6) ?
  M3b M3a O9 . . 3_565 24.18(6) ?
  P1 M3a P1 . . 3_555 180 ?
  P1 M3a P2 . . 1_544 103.93(3) ?
  P1 M3a P2 . . 3_566 76.07(3) ?
  P1 M3a O3 . . . 17.63(8) ?
  P1 M3a O3 . . 3_555 162.37(8) ?
  P1 M3a O7 . . 1_544 85.30(7) ?
  P1 M3a O7 . . 3_566 94.70(7) ?
  P1 M3a O9 . . 1_545 105.78(6) ?
  P1 M3a O9 . . 3_565 74.22(6) ?
  P1 M3a P2 3_555 . 1_544 76.07(3) ?
  P1 M3a P2 3_555 . 3_566 103.93(3) ?
  P1 M3a O3 3_555 . . 162.37(8) ?
  P1 M3a O3 3_555 . 3_555 17.63(8) ?
  P1 M3a O7 3_555 . 1_544 94.70(7) ?
  P1 M3a O7 3_555 . 3_566 85.30(7) ?
  P1 M3a O9 3_555 . 1_545 74.22(6) ?
  P1 M3a O9 3_555 . 3_565 105.78(6) ?
  P2 M3a P2 1_544 . 3_566 180 ?
  P2 M3a O3 1_544 . . 102.49(10) ?
  P2 M3a O3 1_544 . 3_555 77.51(10) ?
  P2 M3a O7 1_544 . 1_544 21.66(7) ?
  P2 M3a O7 1_544 . 3_566 158.34(7) ?
  P2 M3a O9 1_544 . 1_545 73.94(8) ?
  P2 M3a O9 1_544 . 3_565 106.06(8) ?
  P2 M3a O3 3_566 . . 77.51(10) ?
  P2 M3a O3 3_566 . 3_555 102.49(10) ?
  P2 M3a O7 3_566 . 1_544 158.34(7) ?
  P2 M3a O7 3_566 . 3_566 21.66(7) ?
  P2 M3a O9 3_566 . 1_545 106.06(8) ?
  P2 M3a O9 3_566 . 3_565 73.94(8) ?
  O3 M3a O3 . . 3_555 180 ?
  O3 M3a O7 . . 1_544 88.10(12) ?
  O3 M3a O7 . . 3_566 91.90(12) ?
  O3 M3a O9 . . 1_545 88.43(9) ?
  O3 M3a O9 . . 3_565 91.57(9) ?
  O3 M3a O7 3_555 . 1_544 91.90(12) ?
  O3 M3a O7 3_555 . 3_566 88.10(12) ?
  O3 M3a O9 3_555 . 1_545 91.57(9) ?
  O3 M3a O9 3_555 . 3_565 88.43(9) ?
  O7 M3a O7 1_544 . 3_566 180 ?
  O7 M3a O9 1_544 . 1_545 89.43(11) ?
  O7 M3a O9 1_544 . 3_565 90.57(11) ?
  O7 M3a O9 3_566 . 1_545 90.57(11) ?
  O7 M3a O9 3_566 . 3_565 89.43(11) ?
  O9 M3a O9 1_545 . 3_565 180 ?
  X2 M3b X2 1_545 . . 85.428(19) ?
  X2 M3b X2 1_545 . 3_565 94.572(19) ?
  X2 M3b X2 1_545 . 3_575 180 ?
  X2 M3b M1 1_545 . . 41.339(15) ?
  X2 M3b M1 1_545 . 3_565 138.661(15) ?
  X2 M3b M3a 1_545 . . 45.553(10) ?
  X2 M3b M3a 1_545 . 1_565 134.447(10) ?
  X2 M3b P1 1_545 . . 33.79(2) ?
  X2 M3b P1 1_545 . 3_565 146.21(2) ?
  X2 M3b P2 1_545 . 1_554 87.49(2) ?
  X2 M3b P2 1_545 . 3_566 92.51(2) ?
  X2 M3b O4 1_545 . . 38.43(6) ?
  X2 M3b O4 1_545 . 3_565 141.57(6) ?
  X2 M3b O8 1_545 . 1_554 82.14(7) ?
  X2 M3b O8 1_545 . 3_566 97.86(7) ?
  X2 M3b O9 1_545 . . 128.59(7) ?
  X2 M3b O9 1_545 . 3_565 51.41(7) ?
  X2 M3b X2 . . 3_565 180 ?
  X2 M3b X2 . . 3_575 94.572(19) ?
  X2 M3b M1 . . . 44.088(16) ?
  X2 M3b M1 . . 3_565 135.912(16) ?
  X2 M3b M3a . . . 130.981(11) ?
  X2 M3b M3a . . 1_565 49.019(11) ?
  X2 M3b P1 . . . 82.67(3) ?
  X2 M3b P1 . . 3_565 97.33(3) ?
  X2 M3b P2 . . 1_554 35.19(2) ?
  X2 M3b P2 . . 3_566 144.81(2) ?
  X2 M3b O4 . . . 60.11(7) ?
  X2 M3b O4 . . 3_565 119.89(7) ?
  X2 M3b O8 . . 1_554 53.78(6) ?
  X2 M3b O8 . . 3_566 126.22(6) ?
  X2 M3b O9 . . . 52.19(9) ?
  X2 M3b O9 . . 3_565 127.81(9) ?
  X2 M3b X2 3_565 . 3_575 85.428(19) ?
  X2 M3b M1 3_565 . . 135.912(16) ?
  X2 M3b M1 3_565 . 3_565 44.088(16) ?
  X2 M3b M3a 3_565 . . 49.019(11) ?
  X2 M3b M3a 3_565 . 1_565 130.981(11) ?
  X2 M3b P1 3_565 . . 97.33(3) ?
  X2 M3b P1 3_565 . 3_565 82.67(3) ?
  X2 M3b P2 3_565 . 1_554 144.81(2) ?
  X2 M3b P2 3_565 . 3_566 35.19(2) ?
  X2 M3b O4 3_565 . . 119.89(7) ?
  X2 M3b O4 3_565 . 3_565 60.11(7) ?
  X2 M3b O8 3_565 . 1_554 126.22(6) ?
  X2 M3b O8 3_565 . 3_566 53.78(6) ?
  X2 M3b O9 3_565 . . 127.81(9) ?
  X2 M3b O9 3_565 . 3_565 52.19(9) ?
  X2 M3b M1 3_575 . . 138.661(15) ?
  X2 M3b M1 3_575 . 3_565 41.339(15) ?
  X2 M3b M3a 3_575 . . 134.447(10) ?
  X2 M3b M3a 3_575 . 1_565 45.553(10) ?
  X2 M3b P1 3_575 . . 146.21(2) ?
  X2 M3b P1 3_575 . 3_565 33.79(2) ?
  X2 M3b P2 3_575 . 1_554 92.51(2) ?
  X2 M3b P2 3_575 . 3_566 87.49(2) ?
  X2 M3b O4 3_575 . . 141.57(6) ?
  X2 M3b O4 3_575 . 3_565 38.43(6) ?
  X2 M3b O8 3_575 . 1_554 97.86(7) ?
  X2 M3b O8 3_575 . 3_566 82.14(7) ?
  X2 M3b O9 3_575 . . 51.41(7) ?
  X2 M3b O9 3_575 . 3_565 128.59(7) ?
  M1 M3b M1 . . 3_565 180 ?
  M1 M3b M3a . . . 86.893(11) ?
  M1 M3b M3a . . 1_565 93.107(11) ?
  M1 M3b P1 . . . 48.34(3) ?
  M1 M3b P1 . . 3_565 131.66(3) ?
  M1 M3b P2 . . 1_554 55.11(3) ?
  M1 M3b P2 . . 3_566 124.89(3) ?
  M1 M3b O4 . . . 28.72(7) ?
  M1 M3b O4 . . 3_565 151.28(7) ?
  M1 M3b O8 . . 1_554 60.85(7) ?
  M1 M3b O8 . . 3_566 119.15(7) ?
  M1 M3b O9 . . . 91.67(8) ?
  M1 M3b O9 . . 3_565 88.33(8) ?
  M1 M3b M3a 3_565 . . 93.107(11) ?
  M1 M3b M3a 3_565 . 1_565 86.893(11) ?
  M1 M3b P1 3_565 . . 131.66(3) ?
  M1 M3b P1 3_565 . 3_565 48.34(3) ?
  M1 M3b P2 3_565 . 1_554 124.89(3) ?
  M1 M3b P2 3_565 . 3_566 55.11(3) ?
  M1 M3b O4 3_565 . . 151.28(7) ?
  M1 M3b O4 3_565 . 3_565 28.72(7) ?
  M1 M3b O8 3_565 . 1_554 119.15(7) ?
  M1 M3b O8 3_565 . 3_566 60.85(7) ?
  M1 M3b O9 3_565 . . 88.33(8) ?
  M1 M3b O9 3_565 . 3_565 91.67(8) ?
  M3a M3b M3a . . 1_565 180 ?
  M3a M3b P1 . . . 57.452(17) ?
  M3a M3b P1 . . 3_565 122.548(17) ?
  M3a M3b P2 . . 1_554 123.513(17) ?
  M3a M3b P2 . . 3_566 56.487(17) ?
  M3a M3b O4 . . . 76.33(6) ?
  M3a M3b O4 . . 3_565 103.67(6) ?
  M3a M3b O8 . . 1_554 108.64(6) ?
  M3a M3b O8 . . 3_566 71.36(6) ?
  M3a M3b O9 . . . 155.69(6) ?
  M3a M3b O9 . . 3_565 24.31(6) ?
  M3a M3b P1 1_565 . . 122.548(17) ?
  M3a M3b P1 1_565 . 3_565 57.452(17) ?
  M3a M3b P2 1_565 . 1_554 56.487(17) ?
  M3a M3b P2 1_565 . 3_566 123.513(17) ?
  M3a M3b O4 1_565 . . 103.67(6) ?
  M3a M3b O4 1_565 . 3_565 76.33(6) ?
  M3a M3b O8 1_565 . 1_554 71.36(6) ?
  M3a M3b O8 1_565 . 3_566 108.64(6) ?
  M3a M3b O9 1_565 . . 24.31(6) ?
  M3a M3b O9 1_565 . 3_565 155.69(6) ?
  P1 M3b P1 . . 3_565 180 ?
  P1 M3b P2 . . 1_554 103.40(3) ?
  P1 M3b P2 . . 3_566 76.60(3) ?
  P1 M3b O4 . . . 22.76(7) ?
  P1 M3b O4 . . 3_565 157.24(7) ?
  P1 M3b O8 . . 1_554 107.08(7) ?
  P1 M3b O8 . . 3_566 72.92(7) ?
  P1 M3b O9 . . . 104.49(6) ?
  P1 M3b O9 . . 3_565 75.51(6) ?
  P1 M3b P2 3_565 . 1_554 76.60(3) ?
  P1 M3b P2 3_565 . 3_566 103.40(3) ?
  P1 M3b O4 3_565 . . 157.24(7) ?
  P1 M3b O4 3_565 . 3_565 22.76(7) ?
  P1 M3b O8 3_565 . 1_554 72.92(7) ?
  P1 M3b O8 3_565 . 3_566 107.08(7) ?
  P1 M3b O9 3_565 . . 75.51(6) ?
  P1 M3b O9 3_565 . 3_565 104.49(6) ?
  P2 M3b P2 1_554 . 3_566 180 ?
  P2 M3b O4 1_554 . . 82.14(7) ?
  P2 M3b O4 1_554 . 3_565 97.86(7) ?
  P2 M3b O8 1_554 . 1_554 19.49(6) ?
  P2 M3b O8 1_554 . 3_566 160.51(6) ?
  P2 M3b O9 1_554 . . 73.82(8) ?
  P2 M3b O9 1_554 . 3_565 106.18(8) ?
  P2 M3b O4 3_566 . . 97.86(7) ?
  P2 M3b O4 3_566 . 3_565 82.14(7) ?
  P2 M3b O8 3_566 . 1_554 160.51(6) ?
  P2 M3b O8 3_566 . 3_566 19.49(6) ?
  P2 M3b O9 3_566 . . 106.18(8) ?
  P2 M3b O9 3_566 . 3_565 73.82(8) ?
  O4 M3b O4 . . 3_565 180 ?
  O4 M3b O8 . . 1_554 89.58(10) ?
  O4 M3b O8 . . 3_566 90.42(10) ?
  O4 M3b O9 . . . 90.93(9) ?
  O4 M3b O9 . . 3_565 89.07(9) ?
  O4 M3b O8 3_565 . 1_554 90.42(10) ?
  O4 M3b O8 3_565 . 3_566 89.58(10) ?
  O4 M3b O9 3_565 . . 89.07(9) ?
  O4 M3b O9 3_565 . 3_565 90.93(9) ?
  O8 M3b O8 1_554 . 3_566 180 ?
  O8 M3b O9 1_554 . . 91.61(10) ?
  O8 M3b O9 1_554 . 3_565 88.39(10) ?
  O8 M3b O9 3_566 . . 88.39(10) ?
  O8 M3b O9 3_566 . 3_565 91.61(10) ?
  O9 M3b O9 . . 3_565 180 ?
  X1 P1 X2 1_545 . 1_545 0 ?
  X1 P1 M1 1_545 . . 69.98(3) ?
  X1 P1 Mn2b 1_545 . . 142.53(3) ?
  X1 P1 M3a 1_545 . . 72.43(3) ?
  X1 P1 M3b 1_545 . . 112.66(3) ?
  X1 P1 O1 1_545 . . 39.56(9) ?
  X1 P1 O2 1_545 . . 134.57(11) ?
  X1 P1 O3 1_545 . . 71.11(12) ?
  X1 P1 O4 1_545 . . 107.59(10) ?
  X2 P1 M1 1_545 . . 69.98(3) ?
  X2 P1 Mn2b 1_545 . . 142.53(3) ?
  X2 P1 M3a 1_545 . . 72.43(3) ?
  X2 P1 M3b 1_545 . . 112.66(3) ?
  X2 P1 O1 1_545 . . 39.56(9) ?
  X2 P1 O2 1_545 . . 134.57(11) ?
  X2 P1 O3 1_545 . . 71.11(12) ?
  X2 P1 O4 1_545 . . 107.59(10) ?
  M1 P1 Mn2b . . . 105.27(3) ?
  M1 P1 M3a . . . 109.83(3) ?
  M1 P1 M3b . . . 76.96(3) ?
  M1 P1 O1 . . . 51.58(10) ?
  M1 P1 O2 . . . 124.93(11) ?
  M1 P1 O3 . . . 126.70(11) ?
  M1 P1 O4 . . . 51.15(10) ?
  Mn2b P1 M3a . . . 138.41(4) ?
  Mn2b P1 M3b . . . 101.67(3) ?
  Mn2b P1 O1 . . . 107.33(9) ?
  Mn2b P1 O2 . . . 21.57(10) ?
  Mn2b P1 O3 . . . 127.68(12) ?
  Mn2b P1 O4 . . . 95.07(8) ?
  M3a P1 M3b . . . 66.35(3) ?
  M3a P1 O1 . . . 111.70(10) ?
  M3a P1 O2 . . . 123.90(12) ?
  M3a P1 O3 . . . 22.09(9) ?
  M3a P1 O4 . . . 90.05(8) ?
  M3b P1 O1 . . . 125.56(10) ?
  M3b P1 O2 . . . 112.60(11) ?
  M3b P1 O3 . . . 86.06(10) ?
  M3b P1 O4 . . . 28.87(9) ?
  O1 P1 O2 . . . 111.09(15) ?
  O1 P1 O3 . . . 109.22(16) ?
  O1 P1 O4 . . . 102.63(14) ?
  O2 P1 O3 . . . 108.29(16) ?
  O2 P1 O4 . . . 113.82(13) ?
  O3 P1 O4 . . . 111.68(12) ?
  X1 P2 X2 1_556 . 1_556 0 ?
  X1 P2 M1 1_556 . 1_556 67.21(3) ?
  X1 P2 Mn2a 1_556 . 2_566 106.33(4) ?
  X1 P2 M3a 1_556 . 1_566 75.26(3) ?
  X1 P2 M3b 1_556 . 1_556 107.54(3) ?
  X1 P2 O5 1_556 . . 49.82(9) ?
  X1 P2 O6 1_556 . . 120.41(11) ?
  X1 P2 O7 1_556 . . 54.03(10) ?
  X1 P2 O8 1_556 . . 129.94(8) ?
  X2 P2 M1 1_556 . 1_556 67.21(3) ?
  X2 P2 Mn2a 1_556 . 2_566 106.33(4) ?
  X2 P2 M3a 1_556 . 1_566 75.26(3) ?
  X2 P2 M3b 1_556 . 1_556 107.54(3) ?
  X2 P2 O5 1_556 . . 49.82(9) ?
  X2 P2 O6 1_556 . . 120.41(11) ?
  X2 P2 O7 1_556 . . 54.03(10) ?
  X2 P2 O8 1_556 . . 129.94(8) ?
  M1 P2 Mn2a 1_556 . 2_566 144.40(4) ?
  M1 P2 M3a 1_556 . 1_566 110.52(3) ?
  M1 P2 M3b 1_556 . 1_556 71.91(3) ?
  M1 P2 O5 1_556 . . 33.32(10) ?
  M1 P2 O6 1_556 . . 128.40(11) ?
  M1 P2 O7 1_556 . . 110.09(9) ?
  M1 P2 O8 1_556 . . 78.00(8) ?
  Mn2a P2 M3a 2_566 . 1_566 100.66(3) ?
  Mn2a P2 M3b 2_566 . 1_556 138.88(4) ?
  Mn2a P2 O5 2_566 . . 114.84(11) ?
  Mn2a P2 O6 2_566 . . 23.37(9) ?
  Mn2a P2 O7 2_566 . . 89.70(9) ?
  Mn2a P2 O8 2_566 . . 122.54(8) ?
  M3a P2 M3b 1_566 . 1_556 66.80(2) ?
  M3a P2 O5 1_566 . . 119.99(10) ?
  M3a P2 O6 1_566 . . 120.87(11) ?
  M3a P2 O7 1_566 . . 27.58(12) ?
  M3a P2 O8 1_566 . . 85.13(10) ?
  M3b P2 O5 1_556 . . 104.70(10) ?
  M3b P2 O6 1_556 . . 131.95(11) ?
  M3b P2 O7 1_556 . . 91.71(12) ?
  M3b P2 O8 1_556 . . 24.38(8) ?
  O5 P2 O6 . . . 108.08(16) ?
  O5 P2 O7 . . . 103.63(14) ?
  O5 P2 O8 . . . 110.37(13) ?
  O6 P2 O7 . . . 113.04(13) ?
  O6 P2 O8 . . . 109.28(13) ?
  O7 P2 O8 . . . 112.24(16) ?
  X1 O1 X2 1_545 . 1_545 0 ?
  X1 O1 M1 1_545 . . 101.95(10) ?
  X1 O1 P1 1_545 . . 113.79(14) ?
  X1 O1 O3 1_545 . . 80.13(10) ?
  X1 O1 O4 1_545 . . 115.97(11) ?
  X2 O1 M1 1_545 . . 101.95(10) ?
  X2 O1 P1 1_545 . . 113.79(14) ?
  X2 O1 O3 1_545 . . 80.13(10) ?
  X2 O1 O4 1_545 . . 115.97(11) ?
  M1 O1 P1 . . . 96.01(12) ?
  M1 O1 O3 . . . 112.83(11) ?
  M1 O1 O4 . . . 57.40(8) ?
  P1 O1 O3 . . . 34.87(9) ?
  P1 O1 O4 . . . 38.69(9) ?
  O3 O1 O4 . . . 62.02(11) ?
  Mn2b O2 P1 . . . 142.92(16) ?
  Mn2b O2 O3 . . . 165.87(15) ?
  P1 O2 O3 . . . 35.96(9) ?
  X1 O3 X2 1_545 . 1_545 0 ?
  X1 O3 M3a 1_545 . . 96.91(11) ?
  X1 O3 P1 1_545 . . 80.75(13) ?
  X1 O3 O1 1_545 . . 45.66(8) ?
  X1 O3 O2 1_545 . . 104.76(12) ?
  X2 O3 M3a 1_545 . . 96.91(11) ?
  X2 O3 P1 1_545 . . 80.75(13) ?
  X2 O3 O1 1_545 . . 45.66(8) ?
  X2 O3 O2 1_545 . . 104.76(12) ?
  M3a O3 P1 . . . 140.28(15) ?
  M3a O3 O1 . . . 133.74(15) ?
  M3a O3 O2 . . . 154.61(16) ?
  P1 O3 O1 . . . 35.92(10) ?
  P1 O3 O2 . . . 35.75(9) ?
  O1 O3 O2 . . . 61.30(11) ?
  X2 O4 M1 1_545 . . 61.61(6) ?
  X2 O4 M3b 1_545 . . 123.69(8) ?
  X2 O4 P1 1_545 . . 50.25(8) ?
  X2 O4 O1 1_545 . . 30.31(6) ?
  M1 O4 M3b . . . 126.92(11) ?
  M1 O4 P1 . . . 96.46(12) ?
  M1 O4 O1 . . . 57.86(9) ?
  M3b O4 P1 . . . 128.37(15) ?
  M3b O4 O1 . . . 152.92(12) ?
  P1 O4 O1 . . . 38.68(10) ?
  X1 O5 X2 1_556 . 1_556 0 ?
  X1 O5 M1 1_556 . 1_556 101.87(8) ?
  X1 O5 P2 1_556 . . 99.75(13) ?
  X1 O5 O6 1_556 . . 112.31(11) ?
  X1 O5 O7 1_556 . . 61.88(9) ?
  X2 O5 M1 1_556 . 1_556 101.87(8) ?
  X2 O5 P2 1_556 . . 99.75(13) ?
  X2 O5 O6 1_556 . . 112.31(11) ?
  X2 O5 O7 1_556 . . 61.88(9) ?
  M1 O5 P2 1_556 . . 123.20(16) ?
  M1 O5 O6 1_556 . . 141.54(13) ?
  M1 O5 O7 1_556 . . 124.95(14) ?
  P2 O5 O6 . . . 35.68(9) ?
  P2 O5 O7 . . . 38.04(9) ?
  O6 O5 O7 . . . 62.67(10) ?
  Mn2a O6 P2 2_566 . . 139.34(15) ?
  Mn2a O6 O5 2_566 . . 138.59(13) ?
  Mn2a O6 O8 2_566 . . 148.79(15) ?
  P2 O6 O5 . . . 36.25(10) ?
  P2 O6 O8 . . . 35.31(8) ?
  O5 O6 O8 . . . 60.89(10) ?
  X1 O7 X2 1_556 . 1_556 0 ?
  X1 O7 M3a 1_556 . 1_566 118.29(11) ?
  X1 O7 P2 1_556 . . 95.42(14) ?
  X1 O7 O5 1_556 . . 57.24(9) ?
  X2 O7 M3a 1_556 . 1_566 118.29(11) ?
  X2 O7 P2 1_556 . . 95.42(14) ?
  X2 O7 O5 1_556 . . 57.24(9) ?
  M3a O7 P2 1_566 . . 130.76(17) ?
  M3a O7 O5 1_566 . . 144.68(14) ?
  P2 O7 O5 . . . 38.34(9) ?
  M1 O8 M3b 1_556 . 1_556 89.13(7) ?
  M1 O8 P2 1_556 . . 75.07(9) ?
  M1 O8 O6 1_556 . . 97.19(10) ?
  M3b O8 P2 1_556 . . 136.13(13) ?
  M3b O8 O6 1_556 . . 165.14(13) ?
  P2 O8 O6 . . . 35.41(8) ?
  M3a O9 M3b 1_565 . . 131.52(12) ?
  X2 O10 Mn2b . . . 152.83(14) ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



