data_[Ba24Pd8O8]
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 [C2/c]
_cell_length_a [14.9608]
_cell_length_b [13.1299]
_cell_length_c [8.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3PdO]
_chemical_formula_sum '[Ba24 Pd8 O8]'
_cell_volume [1532.4849]
_cell_formula_units_Z [8]
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  0.1218  0.1063  0.6402  1.0
  Ba  Ba1  8  0.1257  0.2470  0.1218  1.0
  Ba  Ba2  8  0.1416  0.4592  0.5255  1.0
  Pd  Pd3  4  0.0000  0.0768  0.2500  1.0
  Pd  Pd4  4  0.0000  0.3331  0.7500  1.0
  O  O5  8  0.2005  0.4059  0.2653  1.0
]