data_image0
_chemical_formula_structural       Cr2S2Br2
_chemical_formula_sum              "Cr2 S2 Br2"
_cell_length_a       3.54046
_cell_length_b       4.75547
_cell_length_c       8.39404
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    90

_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  0.00000  0.50000  0.12126  1.0000
  Cr  Cr2       1.0  0.50000  0.00000  0.87874  1.0000
  S   S1        1.0  0.00000  0.00000  0.07050  1.0000
  S   S2        1.0  0.50000  0.50000  0.92950  1.0000
  Br  Br1       1.0  0.00000  0.00000  0.66596  1.0000
  Br  Br2       1.0  0.50000  0.50000  0.33404  1.0000
