data_[K2Si2Bi2S8]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5816]
_cell_length_b [6.7644]
_cell_length_c [8.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSiBiS4]
_chemical_formula_sum '[K2 Si2 Bi2 S8]'
_cell_volume [372.1542]
_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  0.2739  0.2500  0.0644  1.0
  Si  Si1  2  0.2245  0.7500  0.3246  1.0
  Bi  Bi2  2  0.2329  0.2500  0.5450  1.0
  S  S3  4  0.0097  0.5036  0.2824  1.0
  S  S4  2  0.4180  0.7500  0.5683  1.0
  S  S5  2  0.4203  0.7500  0.1713  1.0
]