data_[Hf8Bi2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [5.8562]
_cell_length_b [6.0186]
_cell_length_c [8.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf4BiPb]
_chemical_formula_sum '[Hf8 Bi2 Pb2]'
_cell_volume [281.5580]
_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
[
  Hf  Hf0  4  0.2858  0.5004  0.3201  1.0
  Hf  Hf1  2  0.2681  0.2500  0.6721  1.0
  Hf  Hf2  2  0.3581  0.7500  0.9734  1.0
  Bi  Bi3  2  0.1248  0.2500  0.9754  1.0
  Pb  Pb4  2  0.1962  0.7500  0.6140  1.0
]