data_[Na6B2Pd8]
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 [Imm2]
_cell_length_a [5.5624]
_cell_length_b [6.8608]
_cell_length_c [8.0934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na3BPd4]
_chemical_formula_sum '[Na6 B2 Pd8]'
_cell_volume [308.8658]
_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
[
  Na  Na0  4  0.0000  0.2534  0.4255  1.0
  Na  Na1  2  0.0000  0.0000  0.0766  1.0
  B  B2  2  0.0000  0.5000  0.9861  1.0
  Pd  Pd3  4  0.0000  0.3033  0.7992  1.0
  Pd  Pd4  4  0.2493  0.5000  0.1685  1.0
]