data_[K2Si2S6]
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 [P-1]
_cell_length_a [6.1824]
_cell_length_b [6.9596]
_cell_length_c [7.3307]
_cell_angle_alpha [104.7329]
_cell_angle_beta [107.5057]
_cell_angle_gamma [111.6032]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSiS3]
_chemical_formula_sum '[K2 Si2 S6]'
_cell_volume [254.8761]
_cell_formula_units_Z [2]
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  2  0.2318  0.8547  0.1801  1.0
  Si  Si1  2  0.2161  0.4254  0.5051  1.0
  S  S2  2  0.1942  0.1408  0.5934  1.0
  S  S3  2  0.2158  0.7131  0.7036  1.0
  S  S4  2  0.3317  0.4281  0.2566  1.0
]