data_[K12Li6Sn6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3987]
_cell_length_b [7.3987]
_cell_length_c [38.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2LiSnCl6]
_chemical_formula_sum '[K12 Li6 Sn6 Cl36]'
_cell_volume [1818.7031]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1091  1.0
  K  K1  6  0.0000  0.0000  0.3100  1.0
  Li  Li2  6  0.0000  0.0000  0.4112  1.0
  Sn  Sn3  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0113  0.5057  0.2885  1.0
  Cl  Cl6  18  0.0222  0.5111  0.1286  1.0
]