data_image0
_chemical_formula_structural       SSeS2Cu2
_chemical_formula_sum              "S3 Se1 Cu2"
_cell_length_a       3.300996255607628
_cell_length_b       5.978555373230271
_cell_length_c       17.84057711745412
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00570775268307

_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
  S   S1        1.0  0.24240337281387972  0.08294225587055805  0.5684755253840841  1.0000
  Se  Se1       1.0  0.7454719364217608  0.5767858846314325  0.5795487590972875  1.0000
  S   S2        1.0  0.7415848157791521  0.22759783070661643  0.42023270663510137  1.0000
  S   S3        1.0  0.24348711677050308  0.7248658171277239  0.42712961356753576  1.0000
  Cu  Cu1       1.0  0.24297468977986245  0.3966170477016716  0.4938401892492847  1.0000
  Cu  Cu2       1.0  0.7430153442942635  0.9085125547192044  0.49650087503806223  1.0000