data_[Cu4Pd4O8]
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 [C2/m]
_cell_length_a [11.9266]
_cell_length_b [3.0863]
_cell_length_c [6.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuPdO2]
_chemical_formula_sum '[Cu4 Pd4 O8]'
_cell_volume [212.8310]
_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  0.2293  0.5000  0.8173  1
  Pd  Pd1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  O  O3  4  0.0599  0.5000  0.7345  1
  O  O4  4  0.1160  0.0000  0.1680  1
]