data_[Zr6Bi2Pb2]
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 [P2_1/m]
_cell_length_a [7.6396]
_cell_length_b [3.9170]
_cell_length_c [8.4633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr3BiPb]
_chemical_formula_sum '[Zr6 Bi2 Pb2]'
_cell_volume [248.4401]
_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
[
  Zr  Zr0  2  0.1405  0.2500  0.5859  1.0
  Zr  Zr1  2  0.3012  0.2500  0.9690  1.0
  Zr  Zr2  2  0.3345  0.7500  0.3662  1.0
  Bi  Bi3  2  0.0289  0.2500  0.2007  1.0
  Pb  Pb4  2  0.4182  0.7500  0.7348  1.0
]