data_[Cu4Pd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0969]
_cell_length_b [14.2109]
_cell_length_c [4.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CuPdO3]
_chemical_formula_sum '[Cu4 Pd4 O12]'
_cell_volume [216.1260]
_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
[
  Cu  Cu0  4  0.0000  0.4732  0.0092  1.0
  Pd  Pd1  4  0.0000  0.1732  0.9912  1.0
  O  O2  4  0.0000  0.0519  0.7658  1.0
  O  O3  4  0.0000  0.2865  0.2461  1.0
  O  O4  4  0.0000  0.3901  0.6936  1.0
]