data_[Na4B4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8838]
_cell_length_b [5.7501]
_cell_length_c [5.5113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaBPd3]
_chemical_formula_sum '[Na4 B4 Pd12]'
_cell_volume [297.9967]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0316  0.5000  0.7620  1.0
  B  B1  4  0.1681  0.0000  0.4999  1.0
  Pd  Pd2  8  0.2168  0.2445  0.2335  1.0
  Pd  Pd3  4  0.0402  0.0000  0.7686  1.0
]