data_AgB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Te
_chemical_formula_sum   'Ag1 B2 Te1'
_cell_volume   65.75
_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
  Ag  Ag0  1  0.2  0.2  0.2  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.81  0.81  0.81  1.0
  Te  Te3  1  0.6  0.6  0.6  1.0

data_AgB2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgB2Te
_chemical_formula_sum   'Ag3 B6 Te3'
_cell_volume   197.26
_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
  Ag  Ag0  3  0.0  0.0  0.8  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  B  B2  3  0.0  0.0  0.19  1.0
  Te  Te3  3  0.0  0.0  0.4  1.0

Ag B B Te
Ag B B Te 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 o o o 2 3 o + o 2 3 + o o 2 3 o o + 
AgB2Te crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 7-coordinate geometry to one B(1), three equivalent B(2), and three equivalent Te(1) atoms. The Ag(1)-B(1) bond length is 2.26 Å. All Ag(1)-B(2) bond lengths are 2.71 Å. All Ag(1)-Te(1) bond lengths are 2.71 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to one Ag(1), one B(2), and three equivalent Te(1) atoms. The B(1)-B(2) bond length is 2.16 Å. All B(1)-Te(1) bond lengths are 2.71 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to three equivalent Ag(1), one B(1), and one Te(1) atom. The B(2)-Te(1) bond length is 2.26 Å. Te(1) is bonded in a 7-coordinate geometry to three equivalent Ag(1), one B(2), and three equivalent B(1) atoms.