data_[Pr2Bi6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3337]
_cell_length_b [12.2227]
_cell_length_c [7.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrBi3Pb2]
_chemical_formula_sum '[Pr2 Bi6 Pb4]'
_cell_volume [408.0577]
_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
[
  Pr  Pr0  2  0.0000  0.1101  0.5021  1.0
  Bi  Bi1  2  0.0000  0.3669  0.3358  1.0
  Bi  Bi2  2  0.5000  0.0447  0.2022  1.0
  Bi  Bi3  2  0.5000  0.3026  0.6520  1.0
  Pb  Pb4  2  0.0000  0.1977  0.9868  1.0
  Pb  Pb5  2  0.5000  0.4421  0.0224  1.0
]