data_[Cu4Pd6O16]
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 [9.6730]
_cell_length_b [5.9612]
_cell_length_c [5.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Pd3O8]
_chemical_formula_sum '[Cu4 Pd6 O16]'
_cell_volume [300.0657]
_cell_formula_units_Z [2]
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  0.2062  0.5000  0.5669  1.0
  Pd  Pd1  4  0.0000  0.2531  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1283  0.2302  0.3605  1.0
  O  O4  4  0.1071  0.0000  0.8637  1.0
  O  O5  4  0.1098  0.5000  0.8755  1.0
]