data_[K4Nb2Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0230]
_cell_length_b [11.8525]
_cell_length_c [7.8216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Nb(PbS3)2]
_chemical_formula_sum '[K4 Nb2 Pb4 S12]'
_cell_volume [617.4963]
_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  4  0.0000  0.1754  0.0000  1
  Nb  Nb1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.0000  0.3321  0.5000  1
  S  S3  8  0.2173  0.1475  0.6971  1
  S  S4  4  0.2204  0.0000  0.3069  1
]