data_[K2Sn2Bi2S6]
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
  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 [7.7497]
_cell_length_b [4.0675]
_cell_length_c [11.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnBiS3]
_chemical_formula_sum '[K2 Sn2 Bi2 S6]'
_cell_volume [368.6219]
_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  0.0541  0.7500  0.1772  1.0
  Sn  Sn1  2  0.3748  0.7500  0.5686  1.0
  Bi  Bi2  2  0.4520  0.2500  0.8552  1.0
  S  S3  2  0.2086  0.2500  0.6434  1.0
  S  S4  2  0.2652  0.7500  0.9491  1.0
  S  S5  2  0.3766  0.2500  0.2504  1.0
]