data_TlAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.1
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   51.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Te
_chemical_formula_sum   'Tl1 Ag2 Te1'
_cell_volume   101.88
_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
  Tl  Tl3  1  0.39  0.0  0.92  1.0
  Ag  Ag0  1  0.94  0.0  0.34  1.0
  Ag  Ag1  1  0.83  0.0  0.5  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_TlAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.73
_cell_length_c   6.1
_cell_angle_alpha   105.11
_cell_angle_beta   90.0
_cell_angle_gamma   115.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Te
_chemical_formula_sum   'Tl1 Ag2 Te1'
_cell_volume   101.88
_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
  Tl  Tl0  1  0.0  0.61  0.08  1.0
  Ag  Ag1  1  0.0  0.06  0.66  1.0
  Ag  Ag2  1  0.0  0.17  0.5  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Tl Ag Ag Te
Tl Ag Ag Te 0 3 o o + 1 2 o o o 1 3 + o o 