data_[Cu4S12Cl4]
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 [C2/c]
_cell_length_a [3.8181]
_cell_length_b [14.8150]
_cell_length_c [9.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuS3Cl]
_chemical_formula_sum '[Cu4 S12 Cl4]'
_cell_volume [509.9576]
_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  0.2719  0.2500  1
  S  S1  8  0.2256  0.1158  0.6046  1
  S  S2  4  0.0000  0.0427  0.7500  1
  Cl  Cl3  4  0.0000  0.3205  0.7500  1
]