data_[Na12Bi12Pd8]
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 [4.7716]
_cell_length_b [11.2641]
_cell_length_c [15.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Bi3Pd2]
_chemical_formula_sum '[Na12 Bi12 Pd8]'
_cell_volume [850.8604]
_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  0.0689  0.6182  1.0
  Na  Na1  4  0.0000  0.3509  0.7500  1.0
  Bi  Bi2  8  0.0000  0.3662  0.5369  1.0
  Bi  Bi3  4  0.0000  0.3524  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2171  0.1052  1.0
]