data_ZnGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaFe2
_chemical_formula_sum   'Zn1 Ga1 Fe2'
_cell_volume   53.27
_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
  Zn  Zn3  1  0.0  0.0  0.45  1.0
  Ga  Ga2  1  0.52  0.52  0.75  1.0
  Fe  Fe0  1  0.52  0.52  0.13  1.0
  Fe  Fe1  1  0.0  0.0  0.33  1.0

data_ZnGaFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGaFe2
_chemical_formula_sum   'Zn2 Ga2 Fe4'
_cell_volume   106.55
_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
  Zn  Zn0  2  0.0  0.0  0.45  1.0
  Ga  Ga1  2  0.02  0.5  0.75  1.0
  Fe  Fe2  2  0.0  0.0  0.33  1.0
  Fe  Fe3  2  0.02  0.5  0.13  1.0

Zn Ga Fe Fe
Fe2ZnGa crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to four equivalent Fe(2) and one Ga(1) atom. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.36-2.50 Å. The Fe(1)-Ga(1) bond length is 2.20 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to four equivalent Fe(1) and one Zn(1) atom. The Fe(2)-Zn(1) bond length is 0.74 Å. Zn(1) is bonded in a single-bond geometry to one Fe(2) and four equivalent Ga(1) atoms. There are a spread of Zn(1)-Ga(1) bond distances ranging from 2.67-2.80 Å. Ga(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Zn(1) atoms.