data_[Hf12Bi2Pb4]
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 [Pnnm]
_cell_length_a [8.7706]
_cell_length_b [9.2231]
_cell_length_c [5.1089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Hf6BiPb2]
_chemical_formula_sum '[Hf12 Bi2 Pb4]'
_cell_volume [413.2704]
_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  0.0041  0.1603  0.0000  1.0
  Hf  Hf1  4  0.1615  0.5888  0.5000  1.0
  Hf  Hf2  4  0.1636  0.9246  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1700  0.2549  0.5000  1.0
]