data_[Ba4Bi2Pd12Pb2]
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
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3276]
_cell_length_b [5.8044]
_cell_length_c [9.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.6843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2BiPd6Pb]
_chemical_formula_sum '[Ba4 Bi2 Pd12 Pb2]'
_cell_volume [514.4132]
_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  4  0.2495  0.5000  0.2140  1.0
  Bi  Bi1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.0200  0.2481  0.2705  1.0
  Pd  Pd3  4  0.2487  0.0000  0.4057  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
]