data_[Cu8S2Cl4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1598]
_cell_length_b [6.3254]
_cell_length_c [6.0811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cu4SCl2O]
_chemical_formula_sum '[Cu8 S2 Cl4 O2]'
_cell_volume [275.4008]
_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  4  0.2331  0.3075  0.9061  1
  Cu  Cu1  2  0.0000  0.1229  0.3089  1
  Cu  Cu2  2  0.0000  0.9061  0.8620  1
  S  S3  2  0.0000  0.8380  0.5087  1
  Cl  Cl4  4  0.2495  0.3307  0.5039  1
  O  O5  2  0.0000  0.1806  0.0003  1
]