data_GaFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeCo2
_chemical_formula_sum   'Ga1 Fe1 Co2'
_cell_volume   45.32
_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  Ga3  1  0.44  0.44  0.14  1.0
  Fe  Fe2  1  0.0  0.0  0.63  1.0
  Co  Co0  1  0.0  0.0  0.06  1.0
  Co  Co1  1  0.44  0.44  0.41  1.0

data_GaFeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFeCo2
_chemical_formula_sum   'Ga2 Fe2 Co4'
_cell_volume   90.65
_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  0.44  0.0  0.14  1.0
  Fe  Fe1  2  0.0  0.0  0.63  1.0
  Co  Co2  2  0.0  0.0  0.06  1.0
  Co  Co3  2  0.44  0.0  0.41  1.0

Ga Fe Co Co
Ga Fe Co Co 0 3 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 o o + 
Co2FeGa crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 5-coordinate geometry to one Co(1) and four equivalent Co(2) atoms. The Fe(1)-Co(1) bond length is 2.33 Å. There are a spread of Fe(1)-Co(2) bond distances ranging from 2.16-2.61 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Ga(1) atoms. There are a spread of Co(1)-Ga(1) bond distances ranging from 1.83-2.34 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to four equivalent Fe(1) and one Ga(1) atom. The Co(2)-Ga(1) bond length is 1.46 Å. Ga(1) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Co(1) atoms.