data_[Ba14Bi4Pb4]
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 [Cmmm]
_cell_length_a [11.2955]
_cell_length_b [12.6422]
_cell_length_c [8.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba7(BiPb)2]
_chemical_formula_sum '[Ba14 Bi4 Pb4]'
_cell_volume [1208.1998]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2608  1
  Ba  Ba1  4  0.0000  0.5000  0.2488  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.2415  0.0000  0.5000  1
  Pb  Pb4  4  0.0000  0.2731  0.0000  1
]