data_[K20Sn8S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2157]
_cell_length_b [8.3343]
_cell_length_c [16.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K5(SnS3)2]
_chemical_formula_sum '[K20 Sn8 S24]'
_cell_volume [1797.1412]
_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  8  0.0250  0.2662  0.5024  1
  K  K1  8  0.1585  0.1487  0.2328  1
  K  K2  4  0.0000  0.3184  0.7500  1
  Sn  Sn3  8  0.2245  0.1004  0.9286  1
  S  S4  8  0.0515  0.0010  0.8734  1
  S  S5  8  0.1431  0.4910  0.1432  1
  S  S6  8  0.2058  0.4047  0.9134  1
]