data_GaIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   149.33
_cell_angle_beta   128.45
_cell_angle_gamma   61.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Au
_chemical_formula_sum   'Ga1 Ir2 Au1'
_cell_volume   61.98
_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  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.34  0.54  1.0
  Ir  Ir3  1  0.43  0.0  0.1  1.0
  Au  Au0  1  0.0  0.0  0.64  1.0

data_GaIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.69
_cell_length_c   5.39
_cell_angle_alpha   115.77
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Au
_chemical_formula_sum   'Ga1 Ir2 Au1'
_cell_volume   61.98
_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  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.33  0.9  0.33  1.0
  Ir  Ir2  1  0.46  0.8  0.8  1.0
  Au  Au3  1  0.36  0.36  0.36  1.0

Ga Ir Ir Au
Ga Ir Ir Au 0 1 o o o 0 1 o - - 0 2 o o o 0 3 o o - 1 3 o o o 2 3 o o - 
Ir2AuGa crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Ga(1) atoms. The Ir(1)-Au(1) bond length is 2.32 Å. There is one shorter (1.62 Å) and one longer (1.89 Å) Ir(1)-Ga(1) bond length. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to two equivalent Au(1) and one Ga(1) atom. There is one shorter (2.08 Å) and one longer (2.62 Å) Ir(2)-Au(1) bond length. The Ir(2)-Ga(1) bond length is 2.01 Å. Au(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Ga(1) atom. The Au(1)-Ga(1) bond length is 1.95 Å. Ga(1) is bonded in a 4-coordinate geometry to one Ir(2), two equivalent Ir(1), and one Au(1) atom.