data_[Pd4Se4O12]
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/m]
_cell_length_a [7.4042]
_cell_length_b [7.0620]
_cell_length_c [7.3272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdSeO3]
_chemical_formula_sum '[Pd4 Se4 O12]'
_cell_volume [335.5283]
_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  0.2500  0.2500  0.5000  1.0
  Se  Se1  4  0.1601  0.5000  0.8383  1.0
  O  O2  8  0.2492  0.1978  0.2263  1.0
  O  O3  4  0.1105  0.5000  0.3670  1.0
]