data_AlTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2As
_chemical_formula_sum   'Al1 Te2 As1'
_cell_volume   94.88
_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
  Te  Te2  1  0.62  0.62  0.62  1.0
  Te  Te3  1  0.81  0.81  0.81  1.0
  As  As1  1  0.43  0.43  0.43  1.0

data_AlTe2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlTe2As
_chemical_formula_sum   'Al3 Te6 As3'
_cell_volume   284.63
_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
  Te  Te1  3  0.0  0.0  0.19  1.0
  Te  Te2  3  0.0  0.0  0.38  1.0
  As  As3  3  0.0  0.0  0.57  1.0

Al Te Te As
AlAsTe2 crystallizes in the trigonal R3m space group. Al(1) is bonded in a 4-coordinate geometry to one Te(2) and three equivalent Te(1) atoms. The Al(1)-Te(2) bond length is 2.38 Å. All Al(1)-Te(1) bond lengths are 3.01 Å. As(1) is bonded in a 1-coordinate geometry to one Te(1) atom. The As(1)-Te(1) bond length is 2.38 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Al(1), one As(1), and one Te(2) atom to form distorted corner-sharing TeAl3TeAs trigonal bipyramids. The Te(1)-Te(2) bond length is 2.38 Å. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to one Al(1) and one Te(1) atom.