data_[Cu4Sb2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1956]
_cell_length_b [7.9251]
_cell_length_c [6.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2SbCl8]
_chemical_formula_sum '[Cu4 Sb2 Cl16]'
_cell_volume [658.7385]
_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  0.1954  0.0000  0.6816  1.0
  Sb  Sb1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0978  0.2103  0.8097  1.0
  Cl  Cl3  4  0.1357  0.0000  0.2920  1.0
  Cl  Cl4  4  0.1504  0.5000  0.3769  1.0
]