data_AlAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgTe2
_chemical_formula_sum   'Al1 Ag1 Te2'
_cell_volume   97.85
_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  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.49  0.49  0.49  1.0
  Te  Te2  1  0.83  0.83  0.83  1.0
  Te  Te3  1  0.66  0.66  0.66  1.0

data_AlAgTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlAgTe2
_chemical_formula_sum   'Al3 Ag3 Te6'
_cell_volume   293.55
_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
  Ag  Ag1  3  0.0  0.0  0.51  1.0
  Te  Te2  3  0.0  0.0  0.17  1.0
  Te  Te3  3  0.0  0.0  0.34  1.0

Al Ag Te Te
Al Ag Te Te 0 2 - - - 1 3 o o o 2 3 o o o 
AgAlTe2 crystallizes in the trigonal R3m space group. Ag(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form distorted AgTe4 trigonal pyramids that share  a cornercorner with one Te(1)AlAg3Te trigonal bipyramid, corners with three equivalent Te(2)Al3AgTe trigonal bipyramids, corners with six equivalent Ag(1)Te4 trigonal pyramids, and edges with three equivalent Al(1)Te4 trigonal pyramids. The Ag(1)-Te(2) bond length is 2.17 Å. All Ag(1)-Te(1) bond lengths are 2.99 Å. Al(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted AlTe4 trigonal pyramids that share  a cornercorner with one Te(2)Al3AgTe trigonal bipyramid, corners with three equivalent Te(1)AlAg3Te trigonal bipyramids, corners with six equivalent Al(1)Te4 trigonal pyramids, and edges with three equivalent Ag(1)Te4 trigonal pyramids. The Al(1)-Te(1) bond length is 2.17 Å. All Al(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 Ag(1), one Al(1), and one Te(2) atom to form distorted TeAlAg3Te trigonal bipyramids that share corners with six equivalent Te(1)AlAg3Te trigonal bipyramids,  a cornercorner with one Ag(1)Te4 trigonal pyramid, corners with three equivalent Al(1)Te4 trigonal pyramids, and edges with three equivalent Te(2)Al3AgTe trigonal bipyramids. The Te(1)-Te(2) bond length is 2.17 Å. In the second Te site, Te(2) is bonded to one Ag(1), three equivalent Al(1), and one Te(1) atom to form TeAl3AgTe trigonal bipyramids that share corners with six equivalent Te(2)Al3AgTe trigonal bipyramids,  a cornercorner with one Al(1)Te4 trigonal pyramid, corners with three equivalent Ag(1)Te4 trigonal pyramids, and edges with three equivalent Te(1)AlAg3Te trigonal bipyramids.