data_[Cu2Sn2Cl6]
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 [Pmc2_1]
_cell_length_a [18.5298]
_cell_length_b [6.2056]
_cell_length_c [8.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CuSnCl3]
_chemical_formula_sum '[Cu2 Sn2 Cl6]'
_cell_volume [1018.0761]
_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  2  0.0000  0.2930  0.6934  1
  Sn  Sn1  2  0.0000  0.1298  0.9609  1
  Cl  Cl2  4  0.0952  0.1193  0.5642  1
  Cl  Cl3  2  0.0000  0.3451  0.2083  1
]