data_[Pr12Bi6Te4Pb2]
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
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0460]
_cell_length_b [4.5959]
_cell_length_c [9.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Bi3Te2Pb]
_chemical_formula_sum '[Pr12 Bi6 Te4 Pb2]'
_cell_volume [830.0641]
_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  4  0.0001  0.0000  0.7534  1.0
  Pr  Pr1  4  0.1652  0.5000  0.0804  1.0
  Pr  Pr2  4  0.1657  0.5000  0.5855  1.0
  Bi  Bi3  4  0.1675  0.0000  0.8326  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  4  0.1668  0.0000  0.3345  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]