data_[Rb6Pr4Pb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  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 [7.3606]
_cell_length_b [12.7483]
_cell_length_c [8.1079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pr2PbS6]
_chemical_formula_sum '[Rb6 Pr4 Pb2 S12]'
_cell_volume [725.2731]
_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  0.1647  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3331  0.0000  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2347  0.1680  0.2003  1.0
  S  S5  4  0.2305  0.5000  0.1999  1.0
]