data_[In12Pb8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6215]
_cell_length_b [17.9853]
_cell_length_c [7.2217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [In3(PbAu2)2]
_chemical_formula_sum '[In12 Pb8 Au16]'
_cell_volume [860.0255]
_cell_formula_units_Z [4]
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  8  0.2500  0.2427  0.2500  1.0
  In  In1  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  8  0.0000  0.0870  0.6010  1.0
  Au  Au3  8  0.0000  0.1658  0.9802  1.0
  Au  Au4  8  0.2500  0.0785  0.2500  1.0
]