data_image0
_chemical_formula_structural       CuS2Cu
_chemical_formula_sum              "Cu2 S2"
_cell_length_a       3.757360936456632
_cell_length_b       3.75734913022462
_cell_length_c       19.53811720680754
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00535453571285

_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  0.33356383573679926  0.6671758902001421  0.588181449029077  1.0000
  S   S1        1.0  0.6670260745538443  0.3340621770719004  0.40514105306124304  1.0000
  S   S2        1.0  0.0002513349994631626  0.000491037786026533  0.594857156755641  1.0000
  Cu  Cu2       1.0  0.33371016077837634  0.6673699929555167  0.41181585230722983  1.0000