data_In2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeTe
_chemical_formula_sum   'In2 Ge1 Te1'
_cell_volume   108.25
_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
  In  In1  1  0.9  0.9  0.32  1.0
  In  In2  1  0.0  0.0  0.89  1.0
  Ge  Ge0  1  0.0  0.0  0.42  1.0
  Te  Te3  1  0.9  0.9  0.05  1.0

data_In2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2GeTe
_chemical_formula_sum   'In4 Ge2 Te2'
_cell_volume   216.51
_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
  In  In0  2  0.0  0.0  0.89  1.0
  In  In1  2  0.4  0.5  0.32  1.0
  Ge  Ge2  2  0.0  0.0  0.42  1.0
  Te  Te3  2  0.4  0.5  0.05  1.0

In In Ge Te
In In Ge Te 0 2 + + o 1 3 - - + 
In2GeTe is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two In2GeTe clusters. There are two inequivalent In sites. In the first In site, In(1) is bonded in a bent 150 degrees geometry to one Ge(1) and one Te(1) atom. The In(1)-Ge(1) bond length is 0.92 Å. The In(1)-Te(1) bond length is 2.01 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Te(1) atom. The In(2)-Te(1) bond length is 1.33 Å. Ge(1) is bonded in a single-bond geometry to one In(1) atom. Te(1) is bonded in a bent 150 degrees geometry to one In(1) and one In(2) atom.