data_Ag7Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02
_cell_length_b   11.02
_cell_length_c   11.02
_cell_angle_alpha   31.32
_cell_angle_beta   31.32
_cell_angle_gamma   31.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag7Te6
_chemical_formula_sum   'Ag7 Te6'
_cell_volume   320.9
_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  0.48  0.88  0.83  1.0
  Ag  Ag1  1  0.0  0.25  0.83  1.0
  Ag  Ag2  1  0.52  0.88  0.83  1.0
  Ag  Ag3  1  0.52  0.12  0.58  1.0
  Ag  Ag4  1  0.48  0.12  0.58  1.0
  Ag  Ag5  1  0.0  0.75  0.58  1.0
  Ag  Ag6  1  0.0  0.0  0.0  1.0
  Te  Te7  1  0.0  0.0  0.06  1.0
  Te  Te8  1  0.0  0.0  0.36  1.0
  Te  Te9  1  0.0  0.0  0.31  1.0
  Te  Te10  1  0.0  0.0  0.1  1.0
  Te  Te11  1  0.0  0.0  0.24  1.0
  Te  Te12  1  0.0  0.0  0.18  1.0

data_Ag7Te6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   11.02
_cell_angle_alpha   74.34
_cell_angle_beta   74.34
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag7Te6
_chemical_formula_sum   'Ag7 Te6'
_cell_volume   320.9
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.12  0.17  0.23  1.0
  Ag  Ag2  1  0.12  0.17  0.19  1.0
  Ag  Ag3  1  0.25  0.42  0.34  1.0
  Ag  Ag4  1  0.75  0.17  0.08  1.0
  Ag  Ag5  1  0.88  0.42  0.22  1.0
  Ag  Ag6  1  0.88  0.42  0.19  1.0
  Te  Te7  1  0.0  0.64  0.36  1.0
  Te  Te8  1  0.0  0.69  0.31  1.0
  Te  Te9  1  0.0  0.76  0.24  1.0
  Te  Te10  1  0.0  0.82  0.18  1.0
  Te  Te11  1  0.0  0.9  0.1  1.0
  Te  Te12  1  0.0  0.94  0.06  1.0

Ag Ag Ag Ag Ag Ag Ag Te Te Te Te Te Te
Ag Ag Ag Ag Ag Ag Ag Te Te Te Te Te Te 0 2 o o o 1 6 o o + 1 10 o o + 1 7 o o + 3 4 o o o 5 9 o + o 5 8 o + o 6 7 o o o 7 10 o o o 8 9 o o o 11 12 o o o 