data_[K2Sn6Cl16]
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 [Cm]
_cell_length_a [17.2424]
_cell_length_b [5.3978]
_cell_length_c [10.1645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KSn3Cl8]
_chemical_formula_sum '[K2 Sn6 Cl16]'
_cell_volume [836.6489]
_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
[
  K  K0  2  0.2942  0.5000  0.7850  1
  Sn  Sn1  2  0.0121  0.5000  0.7894  1
  Sn  Sn2  2  0.2019  0.0000  0.3068  1
  Sn  Sn3  2  0.4995  0.0000  0.2887  1
  Cl  Cl4  2  0.0129  0.0000  0.2880  1
  Cl  Cl5  2  0.0749  0.5000  0.5887  1
  Cl  Cl6  2  0.1677  0.5000  0.9798  1
  Cl  Cl7  2  0.1800  0.5000  0.3511  1
  Cl  Cl8  2  0.2897  0.0000  0.5895  1
  Cl  Cl9  2  0.3396  0.0000  0.2550  1
  Cl  Cl10  2  0.4359  0.0000  0.9826  1
  Cl  Cl11  2  0.4856  0.5000  0.7649  1
]