data_[Ba38Na8Pd12]
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 [I23]
_cell_length_a [14.2944]
_cell_length_b [14.2944]
_cell_length_c [14.2944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Ba19(Na2Pd3)2]
_chemical_formula_sum '[Ba38 Na8 Pd12]'
_cell_volume [2920.7577]
_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  24  0.0517  0.2869  0.6935  1
  Ba  Ba1  12  0.0000  0.0000  0.3604  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Na  Na3  8  0.1624  0.1624  0.1624  1
  Pd  Pd4  12  0.0000  0.1790  0.5000  1
]