data_[In3Bi21Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [15.5356]
_cell_length_b [15.5356]
_cell_length_c [9.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [InBi7Pb12]
_chemical_formula_sum '[In3 Bi21 Pb36]'
_cell_volume [1977.5641]
_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
[
  In  In0  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  18  0.0115  0.1749  0.7926  1.0
  Bi  Bi2  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  18  0.0039  0.7562  0.8871  1.0
  Pb  Pb4  18  0.0812  0.5004  0.1326  1.0
]