data_PF6T_thin_film
_symmetry_cell_setting           orthorombic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2-y,1/2+z
3 -x,-y,-z
4 -x,1/2+y,1/2-z
_cell_length_a                   25.6457
_cell_length_b                   3.8079
_cell_length_c                   13.3401
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_volume                     1302.7443
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 S 0.36908 0.10173 0.30895
S2 S 0.23033 -0.14207 0.48939
S3 S 0.069652 0.13707 0.40802
F1 F 0.47045 -0.011375 0.3369
F2 F 0.44312 -0.33034 0.52733
F3 F 0.33402 -0.32125 0.55961
F4 F 0.26522 0.31325 0.24279
F5 F 0.15692 0.31969 0.27765
F6 F 0.14238 -0.35671 0.61499
F7 F 0.033915 -0.34764 0.64916
C1 C 0.42156 -0.048609 0.37398
C2 C 0.40927 -0.19509 0.46089
C3 C 0.35563 -0.19111 0.47712
C4 C 0.32776 -0.042172 0.403
C5 C 0.27236 0.010012 0.3972
C6 C 0.24383 0.16922 0.32483
C7 C 0.19091 0.17422 0.34136
C8 C 0.17561 0.017095 0.42811
C9 C 0.12385 -0.031267 0.46743
C10 C 0.10891 -0.20292 0.55203
C11 C 0.05587 -0.19918 0.56844
C12 C 0.027601 -0.026631 0.49776
C12B C -0.027601 0.026616 0.49288
S3B S -0.069652 -0.13699 0.58259
C9B C -0.12385 0.031252 0.52321
C8B C -0.17561 -0.01711 0.56252
S2B S -0.23033 0.14217 0.50121
C5B C -0.27236 -0.010003 0.59343
C4B C -0.32776 0.042109 0.58765
S1B S -0.36908 -0.10165 0.68166
C1B C -0.42156 0.04857 0.61667
F1B F -0.47045 0.011359 0.65374
C2B C -0.40927 0.19503 0.52976
F2B F -0.44312 0.33032 0.46331
C3B C -0.35563 0.19105 0.51354
F3B F -0.33402 0.32131 0.431
C6B C -0.24383 -0.16926 0.66581
F4B F -0.26522 -0.31319 0.74782
C7B C -0.19091 -0.17424 0.64928
F5B F -0.15692 -0.31966 0.71297
C10B C -0.10891 0.20285 0.43862
F6B F -0.14238 0.35674 0.37564
C11B C -0.05587 0.19912 0.42222
F7B F -0.033915 0.34768 0.34146

#End