data_[K8Sn8S20]
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 [11.2651]
_cell_length_b [8.0055]
_cell_length_c [11.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2Sn2S5]
_chemical_formula_sum '[K8 Sn8 S20]'
_cell_volume [1004.0249]
_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  0.2187  0.3325  0.3163  1.0
  Sn  Sn1  8  0.0944  0.1549  0.9428  1.0
  S  S2  8  0.0153  0.1326  0.1164  1.0
  S  S3  8  0.1962  0.4464  0.0366  1.0
  S  S4  4  0.0000  0.3125  0.7500  1.0
]