data_[Pd9O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.3657]
_cell_length_b [7.3657]
_cell_length_c [19.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [PdO]
_chemical_formula_sum '[Pd9 O9]'
_cell_volume [894.3082]
_cell_formula_units_Z [9]
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  6  0.2073  0.7858  0.5774  1
  Pd  Pd1  2  0.3333  0.6667  0.3966  1
  Pd  Pd2  1  0.0000  0.0000  0.6085  1
  O  O3  6  0.1827  0.4123  0.4677  1
  O  O4  3  0.0000  0.2299  0.4426  1
]