data_[Na3Bi36Pd21]
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 [R-3]
_cell_length_a [14.9679]
_cell_length_b [14.9679]
_cell_length_c [8.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaBi12Pd7]
_chemical_formula_sum '[Na3 Bi36 Pd21]'
_cell_volume [1578.7111]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  18  0.0442  0.8370  0.3730  1.0
  Bi  Bi2  18  0.0710  0.4806  0.6624  1.0
  Pd  Pd3  18  0.0395  0.8553  0.7288  1.0
  Pd  Pd4  3  0.0000  0.0000  0.5000  1.0
]