data_[Pd10O12]
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 [8.2829]
_cell_length_b [8.2829]
_cell_length_c [18.6736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Pd5O6]
_chemical_formula_sum '[Pd10 O12]'
_cell_volume [1109.5040]
_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
[
  Pd  Pd0  6  0.1727  0.7286  0.5059  1
  Pd  Pd1  3  0.0000  0.2364  0.5951  1
  Pd  Pd2  1  0.0000  0.0000  0.4221  1
  O  O3  6  0.0978  0.2984  0.4221  1
  O  O4  3  0.0000  0.4923  0.5725  1
  O  O5  2  0.3333  0.6667  0.4441  1
  O  O6  1  0.0000  0.0000  0.6188  1
]