data_Ga2FeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.87
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeCu
_chemical_formula_sum   'Ga2 Fe1 Cu1'
_cell_volume   54.16
_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  0.37  0.0  0.61  1.0
  Ga  Ga3  1  0.01  0.0  0.16  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.69  0.0  0.39  1.0

data_Ga2FeCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.39
_cell_length_c   4.87
_cell_angle_alpha   100.86
_cell_angle_beta   90.0
_cell_angle_gamma   108.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeCu
_chemical_formula_sum   'Ga2 Fe1 Cu1'
_cell_volume   54.16
_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  0.63  0.39  1.0
  Ga  Ga1  1  0.0  0.99  0.84  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.31  0.61  1.0

Ga Ga Fe Cu
FeCuGa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeCuGa2 cluster. Fe(1) is bonded in a single-bond geometry to one Ga(2) atom. The Fe(1)-Ga(2) bond length is 0.77 Å. Cu(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom. The Cu(1)-Ga(1) bond length is 1.95 Å. The Cu(1)-Ga(2) bond length is 1.95 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Fe(1) and one Cu(1) atom.