data_GaPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   18.71
_cell_angle_beta   18.71
_cell_angle_gamma   18.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPtAu2
_chemical_formula_sum   'Ga1 Pt1 Au2'
_cell_volume   68.23
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.44  1.0
  Au  Au0  1  0.0  0.0  0.07  1.0
  Au  Au1  1  0.0  0.0  0.81  1.0

data_GaPtAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPtAu2
_chemical_formula_sum   'Ga2 Pt2 Au4'
_cell_volume   136.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.56  1.0
  Au  Au2  2  -0.0  0.0  0.93  1.0
  Au  Au3  2  -0.0  0.0  0.19  1.0

Ga Pt Au Au
PtAu2Ga crystallizes in the monoclinic Cm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to six Pt(1,1); one Au(1); and one Au(2) atom to form a mixture of corner and edge-sharing PtPt6Au2 hexagonal bipyramids. All Pt(1)-Pt(1,1) bond lengths are 2.97 Å. The Pt(1)-Au(1) bond length is 3.36 Å. The Pt(1)-Au(2) bond length is 3.36 Å. In the second Pt site, Pt(1) is bonded to six Pt(1,1); one Au(1); and one Au(2) atom to form a mixture of corner and edge-sharing PtPt6Au2 hexagonal bipyramids. Both Pt(1)-Pt(1) bond lengths are 2.97 Å. The Pt(1)-Au(1) bond length is 3.36 Å. The Pt(1)-Au(2) bond length is 3.36 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Pt(1) and one Ga(1) atom. The Au(1)-Ga(1) bond length is 0.63 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Pt(1) and one Ga(1) atom. The Au(2)-Ga(1) bond length is 1.76 Å. Ga(1) is bonded in a distorted single-bond geometry to one Au(1) and one Au(2) atom.