data_GaFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   145.22
_cell_angle_beta   145.22
_cell_angle_gamma   50.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe4
_chemical_formula_sum   'Ga1 Fe4'
_cell_volume   62.46
_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  Ga4  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.73  0.0  0.62  1.0
  Fe  Fe1  1  0.0  0.73  0.62  1.0
  Fe  Fe2  1  0.0  0.0  0.29  1.0
  Fe  Fe3  1  0.0  0.0  0.19  1.0

data_GaFe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   115.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFe4
_chemical_formula_sum   'Ga2 Fe8'
_cell_volume   124.92
_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
  Fe  Fe1  4  0.26  0.36  0.89  1.0
  Fe  Fe2  2  0.19  0.0  0.19  1.0
  Fe  Fe3  2  0.29  0.0  0.29  1.0

Ga Fe Fe Fe Fe
Ga Fe Fe Fe Fe 0 1 - o - 0 2 o - - 0 4 o o o 1 2 + - o 3 4 o o o 
Fe4Ga is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Fe4Ga clusters. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Ga(1) atom. The Fe(1)-Fe(1) bond length is 1.33 Å. The Fe(1)-Ga(1) bond length is 1.28 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(3) atom. The Fe(2)-Fe(3) bond length is 0.59 Å. In the third Fe site, Fe(3) is bonded in a linear geometry to one Fe(2) and one Ga(1) atom. The Fe(3)-Ga(1) bond length is 1.07 Å. Ga(1) is bonded in a 3-coordinate geometry to one Fe(3) and two equivalent Fe(1) atoms.