data_[Cu4Sn4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.5095]
_cell_length_b [6.6095]
_cell_length_c [7.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CuSnCl3]
_chemical_formula_sum '[Cu4 Sn4 Cl12]'
_cell_volume [582.9277]
_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  0.2224  0.2076  0.4868  1.0
  Sn  Sn1  4  0.3814  0.2985  0.9950  1.0
  Cl  Cl2  4  0.0367  0.1157  0.3204  1.0
  Cl  Cl3  4  0.2064  0.3895  0.7168  1.0
  Cl  Cl4  4  0.3747  0.0839  0.3955  1.0
]