data_[Ba24Pd12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.6974]
_cell_length_b [15.9180]
_cell_length_c [7.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6Pd3O]
_chemical_formula_sum '[Ba24 Pd12 O4]'
_cell_volume [1548.4998]
_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  8  0.1543  0.2679  0.1844  1.0
  Ba  Ba1  8  0.1634  0.4755  0.6945  1.0
  Ba  Ba2  4  0.0000  0.0512  0.1538  1.0
  Ba  Ba3  4  0.0000  0.2162  0.6925  1.0
  Pd  Pd4  8  0.1749  0.1043  0.4704  1.0
  Pd  Pd5  4  0.0000  0.3920  0.4147  1.0
  O  O6  4  0.0000  0.1982  0.0258  1.0
]