data_[In2Pb2Au2]
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 [P-1]
_cell_length_a [3.6447]
_cell_length_b [6.2213]
_cell_length_c [7.3247]
_cell_angle_alpha [79.5494]
_cell_angle_beta [76.8535]
_cell_angle_gamma [89.6336]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InPbAu]
_chemical_formula_sum '[In2 Pb2 Au2]'
_cell_volume [158.9455]
_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  0.0422  0.2921  0.4069  1.0
  Pb  Pb1  2  0.2097  0.7301  0.0750  1.0
  Au  Au2  2  0.4043  0.0395  0.6961  1.0
]