data_[Ba4Bi8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3246]
_cell_length_b [5.0118]
_cell_length_c [10.6261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBi2Pb3]
_chemical_formula_sum '[Ba4 Bi8 Pb12]'
_cell_volume [889.1252]
_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
[
  Ba  Ba0  4  0.1387  0.0000  0.0564  1
  Bi  Bi1  4  0.0095  0.5000  0.1617  1
  Bi  Bi2  4  0.2102  0.0000  0.7872  1
  Pb  Pb3  4  0.0663  0.0000  0.3962  1
  Pb  Pb4  4  0.0953  0.5000  0.6558  1
  Pb  Pb5  4  0.1969  0.5000  0.4053  1
]