data_[Na3In21Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8225]
_cell_length_b [11.8225]
_cell_length_c [15.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaIn7Pb12]
_chemical_formula_sum '[Na3 In21 Pb36]'
_cell_volume [1928.1125]
_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
  In  In1  18  0.0634  0.8808  0.8227  1.0
  In  In2  3  -0.0000  0.0000  0.5000  1.0
  Pb  Pb3  18  0.0051  0.5494  0.6920  1.0
  Pb  Pb4  18  0.0369  0.4756  0.0982  1.0
]