data_MgFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   8.52
_cell_angle_alpha   21.03
_cell_angle_beta   21.03
_cell_angle_gamma   21.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Te
_chemical_formula_sum   'Mg1 Fe2 Te1'
_cell_volume   69.78
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.84  1.0
  Fe  Fe1  1  0.0  0.0  0.15  1.0
  Te  Te3  1  0.0  0.0  0.5  1.0

data_MgFe2Te
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MgFe2Te
_chemical_formula_sum   'Mg2 Fe4 Te2'
_cell_volume   139.55
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.0  0.0  0.16  1.0
  Te  Te2  2  0.0  0.0  0.5  1.0

Mg Fe Fe Te
MgFe2Te crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. The Mg(1)-Fe(1) bond length is 1.34 Å. The Mg(1)-Fe(2) bond length is 1.27 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Mg(1) and one Te(1) atom. The Fe(1)-Te(1) bond length is 2.96 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Mg(1) and one Te(1) atom. The Fe(2)-Te(1) bond length is 2.96 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted linear geometry to one Fe(1); one Fe(2); and six Te(1,1) atoms. All Te(1)-Te(1,1) bond lengths are 3.11 Å. In the second Te site, Te(1) is bonded in a distorted linear geometry to one Fe(1); one Fe(2); and six Te(1,1) atoms. The Te(1)-Fe(1) bond length is 2.96 Å. The Te(1)-Fe(2) bond length is 2.96 Å. Both Te(1)-Te(1) bond lengths are 3.11 Å.