data_[In2Pb16Au4]
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 [C2/m]
_cell_length_a [13.8646]
_cell_length_b [9.0599]
_cell_length_c [5.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(Pb4Au)2]
_chemical_formula_sum '[In2 Pb16 Au4]'
_cell_volume [686.0310]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pb  Pb1  8  0.1248  0.3014  0.9214  1
  Pb  Pb2  4  0.0958  0.5000  0.3766  1
  Pb  Pb3  4  0.1368  0.0000  0.6017  1
  Au  Au4  4  0.2167  0.0000  0.1899  1
]