data_[Ba12Na4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7204]
_cell_length_b [8.7258]
_cell_length_c [15.5417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Na2Pd]
_chemical_formula_sum '[Ba12 Na4 Pd2]'
_cell_volume [979.5363]
_cell_formula_units_Z [2]
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  4  0.1984  0.2053  0.4945  1.0
  Ba  Ba1  4  0.2696  0.5013  0.7573  1.0
  Ba  Ba2  4  0.2898  0.7040  0.4950  1.0
  Na  Na3  4  0.2438  0.0100  0.7501  1.0
  Pd  Pd4  2  0.5000  0.0000  0.5000  1.0
]