data_[In6Sb6Pb12Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8709]
_cell_length_b [5.8709]
_cell_length_c [52.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [InSb(PbAu3)2]
_chemical_formula_sum '[In6 Sb6 Pb12 Au36]'
_cell_volume [1568.5910]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4179  1
  Sb  Sb1  3  -0.0000  -0.0000  0.5000  1
  Sb  Sb2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  6  0.0000  0.0000  0.1001  1
  Pb  Pb4  6  0.0000  0.0000  0.2658  1
  Au  Au5  18  0.0041  0.5021  0.2920  1
  Au  Au6  18  0.0180  0.5090  0.8738  1
]