data_InPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   5.17
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtAu2
_chemical_formula_sum   'In1 Pt1 Au2'
_cell_volume   74.14
_cell_formula_units_Z   1
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  In2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.46  0.0  0.41  1.0
  Au  Au0  1  0.21  0.58  0.22  1.0
  Au  Au1  1  0.71  0.58  0.6  1.0

data_InPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.81
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPtAu2
_chemical_formula_sum   'In1 Pt1 Au2'
_cell_volume   74.14
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.54  0.59  0.0  1.0
  Au  Au2  1  0.29  0.4  0.42  1.0
  Au  Au3  1  0.79  0.78  0.42  1.0

In Pt Au Au
In Pt Au Au 0 1 - o o 0 1 o o o 0 0 + o o 0 2 o - o 1 2 o - o 1 3 o - o 2 3 - o o 2 3 o o o 
PtAu2In crystallizes in the triclinic P1 space group. Pt(1) is bonded in a 4-coordinate geometry to one Au(1), two equivalent Au(2), and two equivalent In(1) atoms. The Pt(1)-Au(1) bond length is 2.45 Å. There is one shorter (2.45 Å) and one longer (3.23 Å) Pt(1)-Au(2) bond length. There is one shorter (2.37 Å) and one longer (2.55 Å) Pt(1)-In(1) bond length. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to one Pt(1), two equivalent Au(2), and one In(1) atom. There is one shorter (2.33 Å) and one longer (2.39 Å) Au(1)-Au(2) bond length. The Au(1)-In(1) bond length is 2.47 Å. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to two equivalent Pt(1), two equivalent Au(1), and one In(1) atom. The Au(2)-In(1) bond length is 3.03 Å. In(1) is bonded in a 3-coordinate geometry to two equivalent Pt(1), one Au(1), and one Au(2) atom.