data_[Na3Bi21Pb36]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9911]
_cell_length_b [11.9911]
_cell_length_c [16.3326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaBi7Pb12]
_chemical_formula_sum '[Na3 Bi21 Pb36]'
_cell_volume [2033.7923]
_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  0.0482  0.8665  0.8230  1.0
  Bi  Bi2  3  -0.0000  0.0000  0.5000  1.0
  Pb  Pb3  18  0.0062  0.5461  0.6833  1.0
  Pb  Pb4  18  0.0414  0.4798  0.0976  1.0
]