data_image0
_chemical_formula_structural       Cu2S4
_chemical_formula_sum              "Cu2 S4"
_cell_length_a       5.5545025645584545
_cell_length_b       5.689883243445572
_cell_length_c       16.309110924348285
_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  0.4999999995896614  0.0  0.49999999986669147  1.0000
  Cu  Cu2       1.0  2.031213572844594e-18  0.4999999996972194  0.49999999986669147  1.0000
  S   S1        1.0  0.11477542274763151  0.11739031741458428  0.4711638117886592  1.0000
  S   S2        1.0  0.6147750316632451  0.3826096682225927  0.5288362449680652  1.0000
  S   S3        1.0  0.8852245764316912  0.8826096819798547  0.5288361885578782  1.0000
  S   S4        1.0  0.3852249693164188  0.6173903329293514  0.47116375476531774  1.0000