data_[P4Pd4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.6122]
_cell_length_b [10.0255]
_cell_length_c [5.9853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PPdO4]
_chemical_formula_sum '[P4 Pd4 O16]'
_cell_volume [313.9982]
_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
[
  P  P0  4  0.0376  0.1267  0.3916  1
  Pd  Pd1  4  0.1359  0.3657  0.0361  1
  O  O2  4  0.2887  0.0478  0.4772  1
  O  O3  4  0.3050  0.4758  0.8369  1
  O  O4  4  0.4849  0.2892  0.0924  1
  O  O5  4  0.4979  0.2898  0.6658  1
]