data_[Pd8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [3.1720]
_cell_length_b [13.8987]
_cell_length_c [5.3278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pd2O3]
_chemical_formula_sum '[Pd8 O12]'
_cell_volume [234.8807]
_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
[
  Pd  Pd0  4  0.0315  0.3275  0.2300  1.0
  Pd  Pd1  4  0.2129  0.0738  0.2604  1.0
  O  O2  4  0.0399  0.1938  0.4671  1.0
  O  O3  4  0.0428  0.1498  0.9617  1.0
  O  O4  4  0.4908  0.0358  0.5807  1.0
]