data_[Nd1Pd1Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [P-3m1]
_cell_length_a [5.5949]
_cell_length_b [5.5949]
_cell_length_c [7.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NdPd(SeO4)2]
_chemical_formula_sum '[Nd1 Pd1 Se2 O8]'
_cell_volume [193.4586]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  1  0.0000  0.0000  0.5000  1
  Pd  Pd1  1  0.0000  0.0000  0.0000  1
  Se  Se2  2  0.3333  0.6667  0.6961  1
  O  O3  6  0.1658  0.3316  0.7673  1
  O  O4  2  0.3333  0.6667  0.4610  1
]