data_[Ba4Pd4Se8O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5922]
_cell_length_b [5.2968]
_cell_length_c [15.9877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaPd(SeO3)2]
_chemical_formula_sum '[Ba4 Pd4 Se8 O24]'
_cell_volume [727.2160]
_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  0.4523  0.7500  1.0
  Pd  Pd1  4  0.0000  0.5000  0.0000  1.0
  Se  Se2  8  0.1398  0.0073  0.5898  1.0
  O  O3  8  0.0286  0.2015  0.9201  1.0
  O  O4  8  0.0492  0.2874  0.1036  1.0
  O  O5  8  0.1938  0.0629  0.6913  1.0
]