data_[K2Bi2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7268]
_cell_length_b [4.1200]
_cell_length_c [11.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBiPbS3]
_chemical_formula_sum '[K2 Bi2 Pb2 S6]'
_cell_volume [412.3684]
_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  0.1430  0.7500  0.1427  1
  Bi  Bi1  2  0.3749  0.2500  0.8675  1
  Pb  Pb2  2  0.1581  0.7500  0.6086  1
  S  S3  2  0.1352  0.7500  0.8439  1
  S  S4  2  0.3597  0.2500  0.6231  1
  S  S5  2  0.4058  0.2500  0.1173  1
]