data_[K2Sb2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  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 [7.6954]
_cell_length_b [4.1000]
_cell_length_c [10.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSbPbS3]
_chemical_formula_sum '[K2 Sb2 Pb2 S6]'
_cell_volume [331.8228]
_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  0.4288  0.2500  0.3326  1.0
  Sb  Sb1  2  0.0596  0.2500  0.6602  1.0
  Pb  Pb2  2  0.2605  0.7500  0.9914  1.0
  S  S3  2  0.0560  0.2500  0.1968  1.0
  S  S4  2  0.2046  0.7500  0.4948  1.0
  S  S5  2  0.3993  0.2500  0.8507  1.0
]