data_[K1Sn1Cl6]
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 [P-1]
_cell_length_a [6.0917]
_cell_length_b [6.2838]
_cell_length_c [7.2508]
_cell_angle_alpha [100.0795]
_cell_angle_beta [113.8140]
_cell_angle_gamma [99.6114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSnCl6]
_chemical_formula_sum '[K1 Sn1 Cl6]'
_cell_volume [241.1460]
_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
[
  K  K0  1  0.0000  0.5000  0.5000  1
  Sn  Sn1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.1990  0.6705  0.0384  1
  Cl  Cl3  2  0.2095  0.0981  0.7901  1
  Cl  Cl4  2  0.3502  0.2371  0.3232  1
]