data_[Ba9Na3Pd24]
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 [R3m]
_cell_length_a [5.6747]
_cell_length_b [5.6747]
_cell_length_c [27.8083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3NaPd8]
_chemical_formula_sum '[Ba9 Na3 Pd24]'
_cell_volume [775.5129]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0056  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4956  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6232  1.0
  Na  Na3  3  0.0000  0.0000  0.1278  1.0
  Pd  Pd4  9  0.1668  0.3335  0.8947  1.0
  Pd  Pd5  9  0.1673  0.3347  0.3964  1.0
  Pd  Pd6  3  0.0000  0.0000  0.3123  1.0
  Pd  Pd7  3  0.0000  0.0000  0.8121  1.0
]