data_[K4Sn4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4915]
_cell_length_b [4.3772]
_cell_length_c [16.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KSnCl3]
_chemical_formula_sum '[K4 Sn4 Cl12]'
_cell_volume [599.9064]
_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
[
  K  K0  4  0.0891  0.7500  0.6551  1.0
  Sn  Sn1  4  0.1283  0.2500  0.9300  1.0
  Cl  Cl2  4  0.0259  0.2500  0.1492  1.0
  Cl  Cl3  4  0.1853  0.7500  0.3075  1.0
  Cl  Cl4  4  0.1877  0.2500  0.5028  1.0
]