data_image0
_chemical_formula_structural       HfCrHfCrS8
_chemical_formula_sum              "Hf2 Cr2 S8"
_cell_length_a       6.703508828836189
_cell_length_b       6.794471215518446
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.4508412032748

_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
  Hf  Hf1       1.0  0.49302290088174894  0.9965133716221116  0.5  1.0000
  Cr  Cr1       1.0  0.004376456514509908  0.0021883289359310165  0.5  1.0000
  Hf  Hf2       1.0  0.49302289846110403  0.49651317547251095  0.5  1.0000
  Cr  Cr2       1.0  0.004376270821886408  0.5021882399626815  0.5  1.0000
  S   S1        1.0  0.314619133280559  0.157308304688133  0.5473345698790717  1.0000
  S   S2        1.0  0.8533430068718694  0.17667311441706768  0.5441638711145502  1.0000
  S   S3        1.0  0.3146172376202758  0.6573073571298279  0.5473344601650315  1.0000
  S   S4        1.0  0.8533430010554904  0.6766702846094965  0.5441638711919862  1.0000
  S   S5        1.0  0.314619133280559  0.157308304688133  0.4526654301209279  1.0000
  S   S6        1.0  0.8533430068718694  0.17667311441706768  0.45583612888544967  1.0000
  S   S7        1.0  0.3146172376202758  0.6573073571298279  0.452665539834968  1.0000
  S   S8        1.0  0.8533430010554904  0.6766702846094965  0.45583612880801394  1.0000