data_[Cu8S6Cl2]
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 [Pmn2_1]
_cell_length_a [7.3424]
_cell_length_b [6.4582]
_cell_length_c [6.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cu4S3Cl]
_chemical_formula_sum '[Cu8 S6 Cl2]'
_cell_volume [296.4711]
_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  0.2344  0.6544  0.6441  1.0
  Cu  Cu1  2  0.0000  0.1570  0.5887  1.0
  Cu  Cu2  2  0.0000  0.8064  0.1418  1.0
  S  S3  4  0.2490  0.3364  0.5003  1.0
  S  S4  2  0.0000  0.8234  0.4988  1.0
  Cl  Cl5  2  0.0000  0.1584  0.9971  1.0
]