data_[Ba16Na2Pd8]
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 [C2/m]
_cell_length_a [22.4014]
_cell_length_b [4.6611]
_cell_length_c [15.2274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8NaPd4]
_chemical_formula_sum '[Ba16 Na2 Pd8]'
_cell_volume [1205.6674]
_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  0.0405  0.5000  0.7447  1
  Ba  Ba1  4  0.1307  0.0000  0.5895  1
  Ba  Ba2  4  0.1640  0.0000  0.3368  1
  Ba  Ba3  4  0.2070  0.0000  0.0737  1
  Na  Na4  2  0.0000  0.5000  0.0000  1
  Pd  Pd5  4  0.1476  0.5000  0.4631  1
  Pd  Pd6  4  0.1648  0.0000  0.8279  1
]