data_image0
_chemical_formula_structural       Cu2SeS4
_chemical_formula_sum              "Cu2 Se1 S4"
_cell_length_a       4.987071383180452
_cell_length_b       7.00972210065775
_cell_length_c       31.731040000000004
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    110.83790458401305

_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  3.479686849023874e-17  6.558902773757015e-33  0.5217222905394843  1.0000
  Cu  Cu2       1.0  0.4999999996811303  0.0  0.47827770946051557  1.0000
  Se  Se1       1.0  0.5000000010389716  0.5000000003916337  0.4999999999999999  1.0000
  S   S1        1.0  0.1794598826735348  0.3050216838183944  0.5452641854789504  1.0000
  S   S2        1.0  0.37443819848355525  0.6949783154384399  0.45473581452104933  1.0000
  S   S3        1.0  0.8205401186411918  0.6949783154384399  0.5452641854789504  1.0000
  S   S4        1.0  0.6255618028311712  0.3050216838183944  0.45473581452104933  1.0000