data_Ag8GeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.3
_cell_length_c   8.59
_cell_angle_alpha   62.04
_cell_angle_beta   61.68
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag8GeTe6
_chemical_formula_sum   'Ag8 Ge1 Te6'
_cell_volume   434.03
_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  0.23  0.12  0.02  1.0
  Ag  Ag1  1  0.54  0.66  0.63  1.0
  Ag  Ag2  1  0.99  0.54  0.37  1.0
  Ag  Ag3  1  0.22  0.67  0.05  1.0
  Ag  Ag4  1  0.62  0.93  0.03  1.0
  Ag  Ag5  1  0.03  0.8  0.74  1.0
  Ag  Ag6  1  0.8  0.92  0.37  1.0
  Ag  Ag7  1  0.31  0.57  0.11  1.0
  Ge  Ge8  1  0.73  0.31  0.2  1.0
  Te  Te9  1  0.23  0.74  0.08  1.0
  Te  Te10  1  0.79  0.13  0.96  1.0
  Te  Te11  1  0.04  0.06  0.71  1.0
  Te  Te12  1  0.38  0.5  0.42  1.0
  Te  Te13  1  0.89  0.25  0.4  1.0
  Te  Te14  1  0.02  0.7  0.65  1.0

data_Ag8GeTe6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.21
_cell_length_b   8.3
_cell_length_c   8.59
_cell_angle_alpha   62.04
_cell_angle_beta   61.68
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag8GeTe6
_chemical_formula_sum   'Ag8 Ge1 Te6'
_cell_volume   434.03
_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  0.03  0.8  0.74  1.0
  Ag  Ag1  1  0.22  0.67  0.05  1.0
  Ag  Ag2  1  0.23  0.12  0.02  1.0
  Ag  Ag3  1  0.31  0.57  0.11  1.0
  Ag  Ag4  1  0.54  0.66  0.63  1.0
  Ag  Ag5  1  0.62  0.93  0.03  1.0
  Ag  Ag6  1  0.8  0.92  0.37  1.0
  Ag  Ag7  1  0.99  0.54  0.37  1.0
  Ge  Ge8  1  0.73  0.31  0.2  1.0
  Te  Te9  1  0.02  0.7  0.65  1.0
  Te  Te10  1  0.04  0.06  0.71  1.0
  Te  Te11  1  0.23  0.74  0.08  1.0
  Te  Te12  1  0.38  0.5  0.42  1.0
  Te  Te13  1  0.79  0.13  0.96  1.0
  Te  Te14  1  0.89  0.25  0.4  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ge Te Te Te Te Te Te
Ag8GeTe6 crystallizes in the triclinic P1 space group. There are eight inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal non-coplanar geometry to one Ag(5), one Te(1), and one Te(5) atom. The Ag(1)-Ag(5) bond length is 2.86 Å. The Ag(1)-Te(1) bond length is 2.91 Å. The Ag(1)-Te(5) bond length is 3.41 Å. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one Ag(3), one Ag(4), one Ag(6), one Ag(7), one Ag(8), and one Te(4) atom. The Ag(2)-Ag(3) bond length is 3.28 Å. The Ag(2)-Ag(4) bond length is 3.29 Å. The Ag(2)-Ag(6) bond length is 3.57 Å. The Ag(2)-Ag(7) bond length is 3.07 Å. The Ag(2)-Ag(8) bond length is 3.48 Å. The Ag(2)-Te(4) bond length is 3.58 Å. In the third Ag site, Ag(3) is bonded in a 1-coordinate geometry to one Ag(2), one Ag(7), one Te(4), and one Te(5) atom. The Ag(3)-Ag(7) bond length is 2.76 Å. The Ag(3)-Te(4) bond length is 3.24 Å. The Ag(3)-Te(5) bond length is 2.79 Å. In the fourth Ag site, Ag(4) is bonded in a distorted L-shaped geometry to one Ag(2), one Ag(8), and one Te(1) atom. The Ag(4)-Ag(8) bond length is 0.92 Å. The Ag(4)-Te(1) bond length is 0.85 Å. In the fifth Ag site, Ag(5) is bonded in a distorted single-bond geometry to one Ag(1) and one Te(2) atom. The Ag(5)-Te(2) bond length is 2.38 Å. In the sixth Ag site, Ag(6) is bonded in a distorted bent 150 degrees geometry to one Ag(2), one Te(3), and one Te(6) atom. The Ag(6)-Te(3) bond length is 2.07 Å. The Ag(6)-Te(6) bond length is 1.39 Å. In the seventh Ag site, Ag(7) is bonded in a 7-coordinate geometry to one Ag(2), one Ag(3), one Ge(1), one Te(1), one Te(2), one Te(5), and one Te(6) atom. The Ag(7)-Ge(1) bond length is 2.76 Å. The Ag(7)-Te(1) bond length is 3.30 Å. The Ag(7)-Te(2) bond length is 3.13 Å. The Ag(7)-Te(5) bond length is 3.31 Å. The Ag(7)-Te(6) bond length is 3.12 Å. In the eighth Ag site, Ag(8) is bonded in a 2-coordinate geometry to one Ag(2), one Ag(4), one Te(1), and one Te(4) atom. The Ag(8)-Te(1) bond length is 1.22 Å. The Ag(8)-Te(4) bond length is 2.73 Å. Ge(1) is bonded in a 4-coordinate geometry to one Ag(7), one Te(2), one Te(4), and one Te(5) atom. The Ge(1)-Te(2) bond length is 2.78 Å. The Ge(1)-Te(4) bond length is 2.77 Å. The Ge(1)-Te(5) bond length is 2.40 Å. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Ag(1), one Ag(4), one Ag(7), one Ag(8), and one Te(4) atom. The Te(1)-Te(4) bond length is 3.09 Å. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ag(5), one Ag(7), one Ge(1), and one Te(3) atom. The Te(2)-Te(3) bond length is 2.27 Å. In the third Te site, Te(3) is bonded in a 1-coordinate geometry to one Ag(6) and one Te(2) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to one Ag(2), one Ag(3), one Ag(8), one Ge(1), one Te(1), and one Te(6) atom. The Te(4)-Te(6) bond length is 2.93 Å. In the fifth Te site, Te(5) is bonded in a 2-coordinate geometry to one Ag(1), one Ag(3), one Ag(7), and one Ge(1) atom. In the sixth Te site, Te(6) is bonded in a single-bond geometry to one Ag(6), one Ag(7), and one Te(4) atom.