data_image0
_chemical_formula_structural       I4S4Zr2
_chemical_formula_sum              "I4 S4 Zr2"
_cell_length_a       7.403837719855569
_cell_length_b       7.250825764640433
_cell_length_c       18.99889023
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.70056161343997

_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
  I   I1        1.0  0.8830043234783768  0.405572889574869  0.5918408972248691  1.0000
  I   I2        1.0  0.11699568676082736  0.5944271106242667  0.40815910277513084  1.0000
  I   I3        1.0  0.5225685669189727  0.40557288957508625  0.40815910277513084  1.0000
  I   I4        1.0  0.4774314230604682  0.5944271106240495  0.5918408972248691  1.0000
  S   S1        1.0  0.9788586641441398  0.9999999999994101  0.3949147086576962  1.0000
  S   S2        1.0  0.021141325069859353  0.9999999999999872  0.6050852913423038  1.0000
  S   S3        1.0  0.7550196278623141  0.999999999999545  0.4607943103000916  1.0000
  S   S4        1.0  0.24498038296209934  0.9999999999998523  0.5392056896999082  1.0000
  Zr  Zr1       1.0  0.8638600395352866  0.7277200881378655  0.5000000002631733  1.0000
  Zr  Zr2       1.0  0.13613997087306992  0.27227993130868744  0.5000000002631733  1.0000