data_GaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2
_chemical_formula_sum   'Ga2 Fe4'
_cell_volume   74.44
_cell_formula_units_Z   2
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  Ga4  1  0.3  0.25  0.17  1.0
  Ga  Ga5  1  0.3  0.75  0.06  1.0
  Fe  Fe0  1  0.3  0.2  0.17  1.0
  Fe  Fe1  1  0.3  0.72  0.17  1.0
  Fe  Fe2  1  0.3  0.8  0.06  1.0
  Fe  Fe3  1  0.3  0.28  0.06  1.0

data_GaFe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.59
_cell_length_b   4.23
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaFe2
_chemical_formula_sum   'Ga2 Fe4'
_cell_volume   74.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.44  0.75  1.0
  Fe  Fe1  2  0.2  0.44  0.7  1.0
  Fe  Fe2  2  0.28  0.56  0.78  1.0

Ga Ga Fe Fe Fe Fe
Ga Ga Fe Fe Fe Fe 0 2 o o o 0 5 o o o 1 4 o o o 1 3 o o o 
Fe2Ga crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Fe2Ga clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Ga(1) atom. The Fe(1)-Ga(1) bond length is 0.33 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Ga(1) atom. The Fe(2)-Ga(1) bond length is 0.53 Å. Ga(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom.