data_[In18Sn3Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0450]
_cell_length_b [14.0450]
_cell_length_c [10.7328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6SnPb12]
_chemical_formula_sum '[In18 Sn3 Pb36]'
_cell_volume [1833.5341]
_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  18  0.0270  0.1403  0.7044  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  18  0.0618  0.4629  0.1084  1.0
  Pb  Pb3  18  0.0689  0.4865  0.6287  1.0
]