data_[Ba4Pd12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7899]
_cell_length_b [9.5825]
_cell_length_c [9.2248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaPd3Pb]
_chemical_formula_sum '[Ba4 Pd12 Pb4]'
_cell_volume [511.8080]
_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  0.0000  0.2500  0.0391  1.0
  Pd  Pd1  8  0.2500  0.0206  0.7500  1.0
  Pd  Pd2  4  0.0000  0.2500  0.6574  1.0
  Pb  Pb3  4  0.0000  0.0000  0.5000  1.0
]