data_image0
_chemical_formula_structural       CuSCuS
_chemical_formula_sum              "Cu2 S2"
_cell_length_a       3.3503938221395804
_cell_length_b       5.415352702732287
_cell_length_c       17.35943304
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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
  Cu  Cu1       1.0  2.078164365746942e-18  0.9999951101984573  0.5000088989081408  1.0000
  S   S1        1.0  2.4896101728345914e-18  0.3310031826912408  0.5678918353660702  1.0000
  Cu  Cu2       1.0  0.4999999996806972  0.49991761545542207  0.49999165180108895  1.0000
  S   S2        1.0  2.0572443702759298e-18  0.6688696764242994  0.43210822800005455  1.0000