data_[K4Si4S12]
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 [C222_1]
_cell_length_a [9.2700]
_cell_length_b [11.8749]
_cell_length_c [5.0363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [KSiS3]
_chemical_formula_sum '[K4 Si4 S12]'
_cell_volume [554.4033]
_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  0.1804  0.7500  1
  Si  Si1  4  0.1349  0.5000  0.5000  1
  S  S2  8  0.2213  0.1057  0.1975  1
  S  S3  4  0.0000  0.3939  0.2500  1
]