data_[Pd4Se8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6658]
_cell_length_b [5.9443]
_cell_length_c [7.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PdSe2O5]
_chemical_formula_sum '[Pd4 Se8 O20]'
_cell_volume [537.7700]
_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
[
  Pd  Pd0  4  0.0000  0.0000  0.0000  1.0
  Se  Se1  8  0.1342  0.3862  0.3137  1.0
  O  O2  8  0.1249  0.2194  0.4970  1.0
  O  O3  8  0.1251  0.2171  0.1242  1.0
  O  O4  4  0.0000  0.4722  0.7500  1.0
]