data_GaAgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAgTe
_chemical_formula_sum   'Ga1 Ag1 Te1'
_cell_volume   84.28
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.48  0.48  0.48  1.0
  Te  Te2  1  0.74  0.74  0.74  1.0

data_GaAgTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaAgTe
_chemical_formula_sum   'Ga3 Ag3 Te3'
_cell_volume   252.83
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.52  1.0
  Te  Te2  3  0.0  0.0  0.26  1.0

Ga Ag Te
AgGaTe is half-Heusler structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded to four equivalent Te(1) atoms to form distorted AgTe4 tetrahedra that share corners with four equivalent Ga(1)Te4 tetrahedra, corners with twelve equivalent Ag(1)Te4 tetrahedra, and edges with six equivalent Ga(1)Te4 tetrahedra. There are three shorter (2.98 Å) and one longer (3.14 Å) Ag(1)-Te(1) bond length. Ga(1) is bonded to four equivalent Te(1) atoms to form distorted GaTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with twelve equivalent Ga(1)Te4 tetrahedra, and edges with six equivalent Ag(1)Te4 tetrahedra. There are three shorter (2.98 Å) and one longer (3.14 Å) Ga(1)-Te(1) bond length. Te(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent Ga(1) atoms.