data_[Cu1Sn1Cl6]
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 [P-1]
_cell_length_a [5.7322]
_cell_length_b [6.5471]
_cell_length_c [7.5180]
_cell_angle_alpha [65.5998]
_cell_angle_beta [68.8972]
_cell_angle_gamma [84.9322]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuSnCl6]
_chemical_formula_sum '[Cu1 Sn1 Cl6]'
_cell_volume [239.1035]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0523  0.8216  0.3262  1.0
  Cl  Cl3  2  0.2647  0.3633  0.8728  1.0
  Cl  Cl4  2  0.3983  0.8463  0.8155  1.0
]