data_[Ba24Pd9Br9O3]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0584]
_cell_length_b [9.0584]
_cell_length_c [24.9290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba8Pd3Br3O]
_chemical_formula_sum '[Ba24 Pd9 Br9 O3]'
_cell_volume [1771.4890]
_cell_formula_units_Z [3]
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  18  0.0255  0.5127  0.7324  1
  Ba  Ba1  6  0.0000  0.0000  0.2606  1
  Pd  Pd2  9  0.0000  0.5000  0.0000  1
  Br  Br3  9  0.0000  0.5000  0.5000  1
  O  O4  3  -0.0000  -0.0000  0.0000  1
]