data_[Ba3Nd1Pd2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [6.2298]
_cell_length_b [6.2298]
_cell_length_c [6.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Nd(PdO3)2]
_chemical_formula_sum '[Ba3 Nd1 Pd2 O6]'
_cell_volume [232.8051]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.6365  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Nd  Nd2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.3333  0.6667  0.1392  1
  O  O4  6  0.1703  0.8297  0.3020  1
]