data_image0
_chemical_formula_structural       CuS2
_chemical_formula_sum              "Cu1 S2"
_cell_length_a       3.373485346141282
_cell_length_b       3.3734853461412815
_cell_length_c       17.59416023279923
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.0  6.852920246909288e-40  0.5000000002046353  1.0000
  S   S1        1.0  0.6666666663809477  0.3333333345823515  0.5730420819519798  1.0000
  S   S2        1.0  0.333333332870916  0.666666665741832  0.4269579178889203  1.0000