data_[Pd4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5635]
_cell_length_b [10.0497]
_cell_length_c [4.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdAuO3]
_chemical_formula_sum '[Pd4 Au4 O12]'
_cell_volume [256.1341]
_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  0.0000  0.3334  0.0000  1
  Au  Au1  4  0.1624  0.0000  0.2762  1
  O  O2  8  0.2497  0.3063  0.7618  1
  O  O3  4  0.1937  0.5000  0.2380  1
]