data_[K8Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6871]
_cell_length_b [22.6230]
_cell_length_c [7.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2SiS3]
_chemical_formula_sum '[K8 Si4 S12]'
_cell_volume [607.8850]
_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  0.0023  0.2500  1.0
  K  K1  4  0.0000  0.1756  0.2500  1.0
  Si  Si2  4  0.0000  0.3613  0.2500  1.0
  S  S3  8  0.0000  0.4094  0.0075  1.0
  S  S4  4  0.0000  0.1997  0.7500  1.0
]