data_[Zr8Bi8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1227]
_cell_length_b [5.2527]
_cell_length_c [13.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Zr2Bi2Pb]
_chemical_formula_sum '[Zr8 Bi8 Pb4]'
_cell_volume [559.8978]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0072  0.2500  0.0737  1
  Zr  Zr1  4  0.0105  0.2500  0.7660  1
  Bi  Bi2  4  0.2339  0.2500  0.5785  1
  Bi  Bi3  4  0.2397  0.2500  0.2609  1
  Pb  Pb4  4  0.2074  0.7500  0.4254  1
]