data_image0
_chemical_formula_structural       Fe2I6O18
_chemical_formula_sum              "Fe2 I6 O18"
_cell_length_a       8.93496171360359
_cell_length_b       8.934895760061055
_cell_length_c       4.885474
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.04604959020517

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Fe  Fe1       1.0  0.33327650314591895  0.6666420369789579  0.638851010157868  1.0000
  Fe  Fe2       1.0  0.666723185768977  0.33335667022658994  0.138852442976874  1.0000
  I   I1        1.0  0.310705568375136  0.983344003681556  0.014166486199701402  1.0000
  I   I2        1.0  0.689293001082143  0.0166547030072442  0.514165053380696  1.0000
  I   I3        1.0  0.016609347618660307  0.327421908955801  0.014268830414408098  1.0000
  I   I4        1.0  0.672591639124043  0.689182208928742  0.014213564538466499  1.0000
  I   I5        1.0  0.327408696713242  0.310817791226283  0.514214178603755  1.0000
  I   I6        1.0  0.983389868761007  0.6725780906824749  0.514267397595402  1.0000
  O   O1        1.0  0.198897328478205  0.726897680914565  0.384902263321839  1.0000
  O   O2        1.0  0.801101240979074  0.273101025774235  0.884900830502833  1.0000
  O   O3        1.0  0.273133302383038  0.471929422171213  0.384844950561604  1.0000
  O   O4        1.0  0.528013814439212  0.801099107066698  0.384787637801368  1.0000
  O   O5        1.0  0.471986521398074  0.198900893088327  0.8847902987509502  1.0000
  O   O6        1.0  0.7268670334542481  0.528070577983812  0.884843517742598  1.0000
  O   O7        1.0  0.5664412922377728  0.117548855009246  0.355799662427842  1.0000
  O   O8        1.0  0.43355727721950593  0.8824498516795539  0.8558023233774251  1.0000
  O   O9        1.0  0.8823911533357859  0.448557733704948  0.356026866584491  1.0000
  O   O10       1.0  0.551329438698377  0.43384966514856793  0.355783287353489  1.0000
  O   O11       1.0  0.448672016596526  0.5661503355232039  0.8557839014187769  1.0000
  O   O12       1.0  0.11760870996626999  0.551443558882804  0.856029527534073  1.0000
  O   O13       1.0  0.836376497326487  0.0510295512228998  0.23023763917278003  1.0000
  O   O14       1.0  0.16362336597556895  0.9489717413648528  0.730236206353775  1.0000
  O   O15       1.0  0.9491657625645319  0.78531505597477  0.230174185759662  1.0000
  O   O16       1.0  0.21467191823248602  0.163640109123001  0.230241732941369  1.0000
  O   O17       1.0  0.7853284176048  0.836359891032024  0.730240300122363  1.0000
  O   O18       1.0  0.0508356927303718  0.214684944697002  0.73017479982495  1.0000