data_AlGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeTe2
_chemical_formula_sum   'Al1 Ge1 Te2'
_cell_volume   96.98
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.47  0.47  0.47  1.0
  Te  Te2  1  0.65  0.65  0.65  1.0
  Te  Te3  1  0.82  0.82  0.82  1.0

data_AlGeTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlGeTe2
_chemical_formula_sum   'Al3 Ge3 Te6'
_cell_volume   290.94
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.53  1.0
  Te  Te2  3  0.0  0.0  0.18  1.0
  Te  Te3  3  0.0  0.0  0.35  1.0

Al Ge Te Te
AlGeTe2 crystallizes in the trigonal R3m space group. Al(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form distorted AlTe4 trigonal pyramids that share  a cornercorner with one Te(1)Al3GeTe trigonal bipyramid, corners with three equivalent Te(2)AlGe3Te trigonal bipyramids, corners with six equivalent Al(1)Te4 trigonal pyramids, and edges with three equivalent Ge(1)Te4 trigonal pyramids. The Al(1)-Te(2) bond length is 2.23 Å. All Al(1)-Te(1) bond lengths are 2.99 Å. Ge(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted GeTe4 trigonal pyramids that share  a cornercorner with one Te(2)AlGe3Te trigonal bipyramid, corners with three equivalent Te(1)Al3GeTe trigonal bipyramids, corners with six equivalent Ge(1)Te4 trigonal pyramids, and edges with three equivalent Al(1)Te4 trigonal pyramids. The Ge(1)-Te(1) bond length is 2.23 Å. All Ge(1)-Te(2) bond lengths are 2.99 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Al(1), one Ge(1), and one Te(2) atom to form TeAl3GeTe trigonal bipyramids that share corners with six equivalent Te(1)Al3GeTe trigonal bipyramids,  a cornercorner with one Al(1)Te4 trigonal pyramid, corners with three equivalent Ge(1)Te4 trigonal pyramids, and edges with three equivalent Te(2)AlGe3Te trigonal bipyramids. The Te(1)-Te(2) bond length is 2.23 Å. In the second Te site, Te(2) is bonded to one Al(1), three equivalent Ge(1), and one Te(1) atom to form distorted TeAlGe3Te trigonal bipyramids that share corners with six equivalent Te(2)AlGe3Te trigonal bipyramids,  a cornercorner with one Ge(1)Te4 trigonal pyramid, corners with three equivalent Al(1)Te4 trigonal pyramids, and edges with three equivalent Te(1)Al3GeTe trigonal bipyramids.