The crystal structure described by AgInTe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(7) and three equivalent Te(8) atoms to form corner-sharing AgTe4 tetrahedra. In the second Ag site, Ag(2) is bonded to one Te(6) and three equivalent Te(7) atoms to form AgTe4 trigonal pyramids that share corners with three equivalent Ag(1)Te4 tetrahedra, corners with three equivalent In(5)Te4 tetrahedra, and corners with six equivalent Ag(2)Te4 trigonal pyramids. In the third Ag site, Ag(3) is bonded to one Te(8) and three equivalent Te(9) atoms to form corner-sharing AgTe4 tetrahedra. In the fourth Ag site, Ag(4) is bonded to one Te(10) and three equivalent Te(11) atoms to form corner-sharing AgTe4 tetrahedra. In the fifth Ag site, Ag(5) is bonded to one Te(9) and three equivalent Te(10) atoms to form corner-sharing AgTe4 tetrahedra. In the sixth Ag site, Ag(6) is bonded to one Te(11) and three equivalent Te(12) atoms to form AgTe4 tetrahedra that share corners with three equivalent Ag(4)Te4 tetrahedra, corners with three equivalent In(1)Te4 tetrahedra, and corners with six equivalent Ag(6)Te4 tetrahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded to one Te(12) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with three equivalent Ag(6)Te4 tetrahedra, corners with three equivalent In(2)Te4 tetrahedra, and corners with six equivalent In(1)Te4 tetrahedra. In the second In site, In(2) is bonded to one Te(1) and three equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. In the third In site, In(3) is bonded to one Te(2) and three equivalent Te(3) atoms to form corner-sharing InTe4 tetrahedra. In the fourth In site, In(4) is bonded to one Te(3) and three equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. In the fifth In site, In(5) is bonded to one Te(5) and three equivalent Te(6) atoms to form InTe4 tetrahedra that share corners with three equivalent In(6)Te4 tetrahedra, corners with six equivalent In(5)Te4 tetrahedra, and corners with three equivalent Ag(2)Te4 trigonal pyramids. In the sixth In site, In(6) is bonded to one Te(4) and three equivalent Te(5) atoms to form corner-sharing InTe4 tetrahedra. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(2) and three equivalent In(1) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(2)In4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(1)In4 tetrahedra. In the second Te site, Te(2) is bonded to one In(3) and three equivalent In(2) atoms to form corner-sharing TeIn4 tetrahedra. In the third Te site, Te(3) is bonded to one In(4) and three equivalent In(3) atoms to form corner-sharing TeIn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one In(6) and three equivalent In(4) atoms to form corner-sharing TeIn4 tetrahedra. In the fifth Te site, Te(5) is bonded to one In(5) and three equivalent In(6) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(6)In3Ag tetrahedra, corners with three equivalent Te(4)In4 tetrahedra, and corners with six equivalent Te(5)In4 tetrahedra. In the sixth Te site, Te(6) is bonded to one Ag(2) and three equivalent In(5) atoms to form TeIn3Ag tetrahedra that share corners with three equivalent Te(5)In4 tetrahedra, corners with six equivalent Te(6)In3Ag tetrahedra, and corners with three equivalent Te(7)Ag4 trigonal pyramids. In the seventh Te site, Te(7) is bonded to one Ag(1) and three equivalent Ag(2) atoms to form TeAg4 trigonal pyramids that share corners with three equivalent Te(8)Ag4 tetrahedra, corners with three equivalent Te(6)In3Ag tetrahedra, and corners with six equivalent Te(7)Ag4 trigonal pyramids. In the eighth Te site, Te(8) is bonded to one Ag(3) and three equivalent Ag(1) atoms to form corner-sharing TeAg4 tetrahedra. In the ninth Te site, Te(9) is bonded to one Ag(5) and three equivalent Ag(3) atoms to form corner-sharing TeAg4 tetrahedra. In the tenth Te site, Te(10) is bonded to one Ag(4) and three equivalent Ag(5) atoms to form corner-sharing TeAg4 tetrahedra. In the eleventh Te site, Te(11) is bonded to one Ag(6) and three equivalent Ag(4) atoms to form TeAg4 tetrahedra that share corners with three equivalent Te(10)Ag4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(11)Ag4 tetrahedra. In the twelfth Te site, Te(12) is bonded to three equivalent Ag(6) and one In(1) atom to form TeInAg3 tetrahedra that share corners with three equivalent Te(11)Ag4 tetrahedra, corners with three equivalent Te(1)In4 tetrahedra, and corners with six equivalent Te(12)InAg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   4.790
_cell_length_c   43.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   872.415
_cell_formula_units_Z   6
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  In0  1  0.333  0.667  0.010  1.0
  In  In1  1  0.000  0.000  0.918  1.0
  In  In2  1  0.667  0.333  0.832  1.0
  In  In3  1  0.333  0.667  0.748  1.0
  In  In4  1  0.667  0.333  0.576  1.0
  In  In5  1  0.000  0.000  0.663  1.0
  Ag  Ag6  1  0.000  0.000  0.414  1.0
  Ag  Ag7  1  0.333  0.667  0.488  1.0
  Ag  Ag8  1  0.667  0.333  0.332  1.0
  Ag  Ag9  1  0.000  0.000  0.167  1.0
  Ag  Ag10  1  0.333  0.667  0.249  1.0
  Ag  Ag11  1  0.667  0.333  0.086  1.0
  Te  Te12  1  0.000  0.000  0.985  1.0
  Te  Te13  1  0.667  0.333  0.899  1.0
  Te  Te14  1  0.333  0.667  0.815  1.0
  Te  Te15  1  0.000  0.000  0.730  1.0
  Te  Te16  1  0.667  0.333  0.643  1.0
  Te  Te17  1  0.333  0.667  0.554  1.0
  Te  Te18  1  0.000  0.000  0.477  1.0
  Te  Te19  1  0.667  0.333  0.396  1.0
  Te  Te20  1  0.333  0.667  0.314  1.0
  Te  Te21  1  0.000  0.000  0.232  1.0
  Te  Te22  1  0.667  0.333  0.150  1.0
  Te  Te23  1  0.333  0.667  0.073  1.0
[/CIF]
.
The crystal structure described by AgInTe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(7) and three equivalent Te(8) atoms to form corner-sharing AgTe4 tetrahedra. In the second Ag site, Ag(2) is bonded to one Te(6) and three equivalent Te(7) atoms to form AgTe4 trigonal pyramids that share corners with three equivalent Ag(1)Te4 tetrahedra, corners with three equivalent In(5)Te4 tetrahedra, and corners with six equivalent Ag(2)Te4 trigonal pyramids. In the third Ag site, Ag(3) is bonded to one Te(8) and three equivalent Te(9) atoms to form corner-sharing AgTe4 tetrahedra. In the fourth Ag site, Ag(4) is bonded to one Te(10) and three equivalent Te(11) atoms to form corner-sharing AgTe4 tetrahedra. In the fifth Ag site, Ag(5) is bonded to one Te(9) and three equivalent Te(10) atoms to form corner-sharing AgTe4 tetrahedra. In the sixth Ag site, Ag(6) is bonded to one Te(11) and three equivalent Te(12) atoms to form AgTe4 tetrahedra that share corners with three equivalent Ag(4)Te4 tetrahedra, corners with three equivalent In(1)Te4 tetrahedra, and corners with six equivalent Ag(6)Te4 tetrahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded to one Te(12) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with three equivalent Ag(6)Te4 tetrahedra, corners with three equivalent In(2)Te4 tetrahedra, and corners with six equivalent In(1)Te4 tetrahedra. In the second In site, In(2) is bonded to one Te(1) and three equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. In the third In site, In(3) is bonded to one Te(2) and three equivalent Te(3) atoms to form corner-sharing InTe4 tetrahedra. In the fourth In site, In(4) is bonded to one Te(3) and three equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. In the fifth In site, In(5) is bonded to one Te(5) and three equivalent Te(6) atoms to form InTe4 tetrahedra that share corners with three equivalent In(6)Te4 tetrahedra, corners with six equivalent In(5)Te4 tetrahedra, and corners with three equivalent Ag(2)Te4 trigonal pyramids. In the sixth In site, In(6) is bonded to one Te(4) and three equivalent Te(5) atoms to form corner-sharing InTe4 tetrahedra. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(2) and three equivalent In(1) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(2)In4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(1)In4 tetrahedra. In the second Te site, Te(2) is bonded to one In(3) and three equivalent In(2) atoms to form corner-sharing TeIn4 tetrahedra. In the third Te site, Te(3) is bonded to one In(4) and three equivalent In(3) atoms to form corner-sharing TeIn4 tetrahedra. In the fourth Te site, Te(4) is bonded to one In(6) and three equivalent In(4) atoms to form corner-sharing TeIn4 tetrahedra. In the fifth Te site, Te(5) is bonded to one In(5) and three equivalent In(6) atoms to form TeIn4 tetrahedra that share corners with three equivalent Te(6)In3Ag tetrahedra, corners with three equivalent Te(4)In4 tetrahedra, and corners with six equivalent Te(5)In4 tetrahedra. In the sixth Te site, Te(6) is bonded to one Ag(2) and three equivalent In(5) atoms to form TeIn3Ag tetrahedra that share corners with three equivalent Te(5)In4 tetrahedra, corners with six equivalent Te(6)In3Ag tetrahedra, and corners with three equivalent Te(7)Ag4 trigonal pyramids. In the seventh Te site, Te(7) is bonded to one Ag(1) and three equivalent Ag(2) atoms to form TeAg4 trigonal pyramids that share corners with three equivalent Te(8)Ag4 tetrahedra, corners with three equivalent Te(6)In3Ag tetrahedra, and corners with six equivalent Te(7)Ag4 trigonal pyramids. In the eighth Te site, Te(8) is bonded to one Ag(3) and three equivalent Ag(1) atoms to form corner-sharing TeAg4 tetrahedra. In the ninth Te site, Te(9) is bonded to one Ag(5) and three equivalent Ag(3) atoms to form corner-sharing TeAg4 tetrahedra. In the tenth Te site, Te(10) is bonded to one Ag(4) and three equivalent Ag(5) atoms to form corner-sharing TeAg4 tetrahedra. In the eleventh Te site, Te(11) is bonded to one Ag(6) and three equivalent Ag(4) atoms to form TeAg4 tetrahedra that share corners with three equivalent Te(10)Ag4 tetrahedra, corners with three equivalent Te(12)InAg3 tetrahedra, and corners with six equivalent Te(11)Ag4 tetrahedra. In the twelfth Te site, Te(12) is bonded to three equivalent Ag(6) and one In(1) atom to form TeInAg3 tetrahedra that share corners with three equivalent Te(11)Ag4 tetrahedra, corners with three equivalent Te(1)In4 tetrahedra, and corners with six equivalent Te(12)InAg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   4.790
_cell_length_c   43.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   872.415
_cell_formula_units_Z   6
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  In0  1  0.333  0.667  0.010  1.0
  In  In1  1  0.000  0.000  0.918  1.0
  In  In2  1  0.667  0.333  0.832  1.0
  In  In3  1  0.333  0.667  0.748  1.0
  In  In4  1  0.667  0.333  0.576  1.0
  In  In5  1  0.000  0.000  0.663  1.0
  Ag  Ag6  1  0.000  0.000  0.414  1.0
  Ag  Ag7  1  0.333  0.667  0.488  1.0
  Ag  Ag8  1  0.667  0.333  0.332  1.0
  Ag  Ag9  1  0.000  0.000  0.167  1.0
  Ag  Ag10  1  0.333  0.667  0.249  1.0
  Ag  Ag11  1  0.667  0.333  0.086  1.0
  Te  Te12  1  0.000  0.000  0.985  1.0
  Te  Te13  1  0.667  0.333  0.899  1.0
  Te  Te14  1  0.333  0.667  0.815  1.0
  Te  Te15  1  0.000  0.000  0.730  1.0
  Te  Te16  1  0.667  0.333  0.643  1.0
  Te  Te17  1  0.333  0.667  0.554  1.0
  Te  Te18  1  0.000  0.000  0.477  1.0
  Te  Te19  1  0.667  0.333  0.396  1.0
  Te  Te20  1  0.333  0.667  0.314  1.0
  Te  Te21  1  0.000  0.000  0.232  1.0
  Te  Te22  1  0.667  0.333  0.150  1.0
  Te  Te23  1  0.333  0.667  0.073  1.0
[/CIF]
.