data_[Cu2Pd6O8]
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 [Pmn2_1]
_cell_length_a [6.7027]
_cell_length_b [5.4630]
_cell_length_c [5.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuPd3O4]
_chemical_formula_sum '[Cu2 Pd6 O8]'
_cell_volume [203.7004]
_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  2  0.0000  0.8784  0.0391  1
  Pd  Pd1  4  0.2085  0.2795  0.0366  1
  Pd  Pd2  2  0.0000  0.2848  0.4410  1
  O  O3  4  0.2087  0.6703  0.8889  1
  O  O4  2  0.0000  0.1586  0.7946  1
  O  O5  2  0.0000  0.7493  0.3589  1
]