data_[Rb4Nb2Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.0264]
_cell_length_b [11.9182]
_cell_length_c [8.1578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Nb(PbS3)2]
_chemical_formula_sum '[Rb4 Nb2 Pb4 S12]'
_cell_volume [650.1936]
_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
[
  Rb  Rb0  4  0.0000  0.1752  0.0000  1.0
  Nb  Nb1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.0000  0.3320  0.5000  1.0
  S  S3  8  0.2144  0.1469  0.6879  1.0
  S  S4  4  0.2235  0.0000  0.3156  1.0
]