data_[Na12Bi8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7905]
_cell_length_b [10.6571]
_cell_length_c [14.7736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Bi2Pd3]
_chemical_formula_sum '[Na12 Bi8 Pd12]'
_cell_volume [754.2383]
_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  8  0.0000  0.0620  0.6140  1.0
  Na  Na1  4  0.0000  0.3369  0.7500  1.0
  Bi  Bi2  8  0.0000  0.2371  0.0964  1.0
  Pd  Pd3  8  0.0000  0.3932  0.5530  1.0
  Pd  Pd4  4  0.0000  0.3775  0.2500  1.0
]