data_[Cu2S8Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7961]
_cell_length_b [5.6838]
_cell_length_c [11.6507]
_cell_angle_alpha [85.4722]
_cell_angle_beta [85.5870]
_cell_angle_gamma [76.5943]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuS4Cl]
_chemical_formula_sum '[Cu2 S8 Cl2]'
_cell_volume [307.4190]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Cu0  2  0.2577  0.7485  0.4293  1
  S  S1  2  0.1696  0.1673  0.3991  1
  S  S2  2  0.3928  0.1082  0.0720  1
  S  S3  2  0.4028  0.6293  0.9308  1
  S  S4  2  0.4804  0.3389  0.4118  1
  Cl  Cl5  2  0.0586  0.2227  0.7039  1
]