data_[Nd8Pd4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.1140]
_cell_length_b [5.9755]
_cell_length_c [11.4598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Nd2PdO]
_chemical_formula_sum '[Nd8 Pd4 O4]'
_cell_volume [373.4755]
_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
[
  Nd  Nd0  4  0.0432  0.2420  0.5934  1
  Nd  Nd1  4  0.3223  0.2143  0.3536  1
  Pd  Pd2  4  0.4227  0.2963  0.8591  1
  O  O3  4  0.0322  0.1459  0.1231  1
]