data_[Bi2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2292]
_cell_length_b [5.1082]
_cell_length_c [7.3993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiPb3]
_chemical_formula_sum '[Bi2 Pb6]'
_cell_volume [265.0514]
_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
[
  Bi  Bi0  2  0.3099  0.2500  0.1846  1.0
  Pb  Pb1  2  0.1128  0.7500  0.3906  1.0
  Pb  Pb2  2  0.1647  0.7500  0.8786  1.0
  Pb  Pb3  2  0.3772  0.2500  0.6559  1.0
]