data_global
_cell_length_a                  10.853602
_cell_length_b                  10.853602
_cell_length_c                  10.853602
_cell_angle_alpha               55.284235
_cell_angle_beta                55.284235
_cell_angle_gamma               55.284235

_symmetry_space_group_name_H-M     'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
   Fe01   Fe   1   0.32239   0.32239   0.32239
   Fe02   Fe   1   0.32239   0.32239   0.82239
   Fe03   Fe   1   0.32239   0.82239   0.32239
   Fe04   Fe   1   0.32239   0.82239   0.82239
   Fe05   Fe   1   0.82239   0.32239   0.32239
   Fe06   Fe   1   0.82239   0.32239   0.82239
   Fe07   Fe   1   0.82239   0.82239   0.32239
   Fe08   Fe   1   0.82239   0.82239   0.82239
   Fe09   Fe   1   0.42761   0.42761   0.42761
   Fe10   Fe   1   0.42761   0.42761   0.92761
   Fe11   Fe   1   0.42761   0.92761   0.42761
   Fe12   Fe   1   0.42761   0.92761   0.92761
   Fe13   Fe   1   0.92761   0.42761   0.42761
   Fe14   Fe   1   0.92761   0.42761   0.92761
   Fe15   Fe   1   0.92761   0.92761   0.42761
   Fe16   Fe   1   0.92761   0.92761   0.92761
   Fe17   Fe   1   0.17761   0.17761   0.17761
   Fe18   Fe   1   0.17761   0.17761   0.67761
   Fe19   Fe   1   0.17761   0.67761   0.17761
   Fe20   Fe   1   0.17761   0.67761   0.67761
   Fe21   Fe   1   0.67761   0.17761   0.17761
   Fe22   Fe   1   0.67761   0.17761   0.67761
   Fe23   Fe   1   0.67761   0.67761   0.17761
   Fe24   Fe   1   0.67761   0.67761   0.67761
   Fe25   Fe   1   0.07239   0.07239   0.07239
   Fe26   Fe   1   0.07239   0.07239   0.57239
   Fe27   Fe   1   0.07239   0.57239   0.07239
   Fe28   Fe   1   0.07239   0.57239   0.57239
   Fe29   Fe   1   0.57239   0.07239   0.07239
   Fe30   Fe   1   0.57239   0.07239   0.57239
   Fe31   Fe   1   0.57239   0.57239   0.07239
   Fe32   Fe   1   0.57239   0.57239   0.57239
   O01   O   1   0.375   0.221975   0.028025
   O02   O   1   0.375   0.221975   0.528025
   O03   O   1   0.375   0.721975   0.528025
   O04   O   1   0.875   0.221975   0.028025
   O05   O   1   0.875   0.721975   0.028025
   O06   O   1   0.875   0.721975   0.528025
   O07   O   1   0.278025   0.471975   0.125
   O08   O   1   0.278025   0.471975   0.625
   O09   O   1   0.278025   0.971975   0.125
   O10   O   1   0.778025   0.471975   0.625
   O11   O   1   0.778025   0.971975   0.125
   O12   O   1   0.778025   0.971975   0.625
   O13   O   1   0.471975   0.125   0.278025
   O14   O   1   0.471975   0.625   0.278025
   O15   O   1   0.471975   0.625   0.778025
   O16   O   1   0.971975   0.125   0.278025
   O17   O   1   0.971975   0.125   0.778025
   O18   O   1   0.971975   0.625   0.778025
   O19   O   1   0.125   0.278025   0.471975
   O20   O   1   0.125   0.278025   0.971975
   O21   O   1   0.125   0.778025   0.971975
   O22   O   1   0.625   0.278025   0.471975
   O23   O   1   0.625   0.778025   0.471975
   O24   O   1   0.625   0.778025   0.971975
   O25   O   1   0.221975   0.028025   0.375
   O26   O   1   0.221975   0.028025   0.875
   O27   O   1   0.221975   0.528025   0.375
   O28   O   1   0.721975   0.028025   0.875
   O29   O   1   0.721975   0.528025   0.375
   O30   O   1   0.721975   0.528025   0.875
   O31   O   1   0.028025   0.375   0.221975
   O32   O   1   0.028025   0.875   0.221975
   O33   O   1   0.028025   0.875   0.721975
   O34   O   1   0.528025   0.375   0.221975
   O35   O   1   0.528025   0.375   0.721975
   O36   O   1   0.528025   0.875   0.721975
   V01   O   0   0.221975   0.528025   0.875   # vacancy site
   V02   O   0   0.721975   0.028025   0.375   # vacancy site
   V03   O   0   0.028025   0.375   0.721975   # vacancy site
   V04   O   0   0.528025   0.875   0.221975   # vacancy site
   V05   O   0   0.375   0.721975   0.028025   # vacancy site
   V06   O   0   0.875   0.221975   0.528025   # vacancy site
   V07   O   0   0.278025   0.971975   0.625   # vacancy site
   V08   O   0   0.778025   0.471975   0.125   # vacancy site
   V09   O   0   0.471975   0.125   0.778025   # vacancy site
   V10   O   0   0.971975   0.625   0.278025   # vacancy site
   V11   O   0   0.125   0.778025   0.471975   # vacancy site
   V12   O   0   0.625   0.278025   0.971975   # vacancy site