data_Ga2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   143.05
_cell_angle_beta   125.01
_cell_angle_gamma   68.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReAu
_chemical_formula_sum   'Ga2 Re1 Au1'
_cell_volume   64.35
_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  0.35  0.17  1.0
  Ga  Ga2  1  0.62  0.0  0.06  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.23  1.0

data_Ga2ReAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.71
_cell_length_c   5.1
_cell_angle_alpha   117.49
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReAu
_chemical_formula_sum   'Ga2 Re1 Au1'
_cell_volume   64.35
_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  0.06  0.44  1.0
  Ga  Ga1  1  0.65  0.81  0.81  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.23  0.23  1.0

Ga Ga Re Au
Ga Ga Re Au 0 2 o o o 1 3 + o o 2 3 o o o 
ReAuGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReAuGa2 cluster. Re(1) is bonded in a distorted bent 120 degrees geometry to one Au(1) and one Ga(1) atom. The Re(1)-Au(1) bond length is 1.15 Å. The Re(1)-Ga(1) bond length is 1.24 Å. Au(1) is bonded in a distorted water-like geometry to one Re(1) and one Ga(2) atom. The Au(1)-Ga(2) bond length is 1.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Au(1) atom.