data_[K8Sn4S12]
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 [Cmcm]
_cell_length_a [3.9776]
_cell_length_b [23.0429]
_cell_length_c [7.6160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2SnS3]
_chemical_formula_sum '[K8 Sn4 S12]'
_cell_volume [698.0521]
_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  4  0.0000  0.3323  0.7500  1.0
  K  K1  4  0.0000  0.4998  0.7500  1.0
  Sn  Sn2  4  0.0000  0.1438  0.7500  1.0
  S  S3  8  0.0000  0.0869  0.0077  1.0
  S  S4  4  0.0000  0.2881  0.2500  1.0
]