data_InGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Te
_chemical_formula_sum   'In1 Ge2 Te1'
_cell_volume   95.71
_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  In2  1  0.63  0.63  0.63  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.45  0.45  0.45  1.0
  Te  Te3  1  0.82  0.82  0.82  1.0

data_InGe2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InGe2Te
_chemical_formula_sum   'In3 Ge6 Te3'
_cell_volume   287.14
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.37  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.55  1.0
  Te  Te3  3  0.0  0.0  0.18  1.0

In Ge Ge Te
In Ge Ge Te 0 2 o o o 0 3 o o o 1 3 - - - 
InGe2Te crystallizes in the trigonal R3m space group. In(1) is bonded in a 5-coordinate geometry to one Ge(2), three equivalent Ge(1), and one Te(1) atom. The In(1)-Ge(2) bond length is 2.32 Å. All In(1)-Ge(1) bond lengths are 3.00 Å. The In(1)-Te(1) bond length is 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent In(1) and one Te(1) atom to form distorted corner-sharing GeIn3Te trigonal pyramids. The Ge(1)-Te(1) bond length is 2.32 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one In(1) and three equivalent Te(1) atoms. All Ge(2)-Te(1) bond lengths are 3.00 Å. Te(1) is bonded in a 5-coordinate geometry to one In(1), one Ge(1), and three equivalent Ge(2) atoms.