data_GaFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Te
_chemical_formula_sum   'Ga1 Fe2 Te1'
_cell_volume   71.33
_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  0.0  0.0  0.89  1.0
  Fe  Fe0  1  0.0  0.0  0.32  1.0
  Fe  Fe1  1  0.58  0.58  0.59  1.0
  Te  Te3  1  0.58  0.58  0.97  1.0

data_GaFe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFe2Te
_chemical_formula_sum   'Ga2 Fe4 Te2'
_cell_volume   142.67
_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  0.89  1.0
  Fe  Fe1  2  0.0  0.0  0.32  1.0
  Fe  Fe2  2  0.08  0.5  0.59  1.0
  Te  Te3  2  0.08  0.5  0.97  1.0

Ga Fe Fe Te
Fe2GaTe crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Fe(1), four equivalent Fe(2), one Ga(1), and three equivalent Te(1) atoms to form a mixture of distorted face and corner-sharing FeGaFe8Te3 cuboctahedra. All Fe(1)-Fe(1) bond lengths are 3.15 Å. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.73-3.24 Å. The Fe(1)-Ga(1) bond length is 3.09 Å. There is one shorter (3.17 Å) and two longer (3.39 Å) Fe(1)-Te(1) bond lengths. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to four equivalent Fe(1) and one Te(1) atom. The Fe(2)-Te(1) bond length is 2.67 Å. Ga(1) is bonded in a 4-coordinate geometry to one Fe(1) and four equivalent Te(1) atoms. There are a spread of Ga(1)-Te(1) bond distances ranging from 1.97-2.63 Å. Te(1) is bonded in a 3-coordinate geometry to one Fe(2), three equivalent Fe(1), and four equivalent Ga(1) atoms.