data_[Cu4Sb4S4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9493]
_cell_length_b [13.3486]
_cell_length_c [8.3841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CuSbSCl2]
_chemical_formula_sum '[Cu4 Sb4 S4 Cl8]'
_cell_volume [441.9907]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.0000  0.3060  0.7500  1.0
  S  S2  4  0.0000  0.0642  0.2500  1.0
  Cl  Cl3  8  0.0000  0.3532  0.0577  1.0
]