data_image0
_chemical_formula_structural       CrNiCrNiS8
_chemical_formula_sum              "Cr2 Ni2 S8"
_cell_length_a       6.595109295319834
_cell_length_b       6.6381259817114335
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.22519769253084

_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
  Cr  Cr1       1.0  0.5  0.9999999999999993  0.5  1.0000
  Ni  Ni1       1.0  6.661338147750939e-16  1.3322676295501878e-15  0.5  1.0000
  Cr  Cr2       1.0  0.5000000000000003  0.5000000000000007  0.5  1.0000
  Ni  Ni2       1.0  0.0  0.49999999999999983  0.5  1.0000
  S   S1        1.0  0.3266092410855523  0.16327126638909778  0.540552030150865  1.0000
  S   S2        1.0  0.8460622392519589  0.17300266075922746  0.5386050456031488  1.0000
  S   S3        1.0  0.3266094313948682  0.6632683664025006  0.5405520445271867  1.0000
  S   S4        1.0  0.8460600436412145  0.6730017631714339  0.5386049472612112  1.0000
  S   S5        1.0  0.15393995635878518  0.3269982368285664  0.46139505273878795  1.0000
  S   S6        1.0  0.6733905686051317  0.33673163359749836  0.45944795547281353  1.0000
  S   S7        1.0  0.15393776074804197  0.8269973392407745  0.46139495439685096  1.0000
  S   S8        1.0  0.673390758914447  0.8367287336109004  0.45944796984913505  1.0000