data_Tl2Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   6.36
_cell_length_c   11.94
_cell_angle_alpha   60.11
_cell_angle_beta   32.17
_cell_angle_gamma   87.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Ag3
_chemical_formula_sum   'Tl4 Ag6'
_cell_volume   203.9
_cell_formula_units_Z   2
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  Tl6  1  0.4  0.23  0.94  1.0
  Tl  Tl7  1  0.91  0.24  0.94  1.0
  Tl  Tl8  1  0.48  0.36  0.75  1.0
  Tl  Tl9  1  0.98  0.35  0.75  1.0
  Ag  Ag0  1  0.83  0.31  0.28  1.0
  Ag  Ag1  1  0.48  0.16  0.28  1.0
  Ag  Ag2  1  0.9  0.28  0.09  1.0
  Ag  Ag3  1  0.56  0.43  0.09  1.0
  Ag  Ag4  1  0.15  0.23  0.03  1.0
  Ag  Ag5  1  0.08  0.12  0.84  1.0

data_Tl2Ag3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.36
_cell_length_c   10.36
_cell_angle_alpha   87.72
_cell_angle_beta   81.01
_cell_angle_gamma   75.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Ag3
_chemical_formula_sum   'Tl4 Ag6'
_cell_volume   203.9
_cell_formula_units_Z   2
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  0.02  0.91  0.73  1.0
  Tl  Tl1  1  0.09  0.82  0.85  1.0
  Tl  Tl2  1  0.52  0.89  0.23  1.0
  Tl  Tl3  1  0.6  0.83  0.34  1.0
  Ag  Ag4  1  0.1  0.63  1.0  1.0
  Ag  Ag5  1  0.17  0.41  0.11  1.0
  Ag  Ag6  1  0.44  0.48  0.65  1.0
  Ag  Ag7  1  0.52  0.56  0.77  1.0
  Ag  Ag8  1  0.85  0.74  0.18  1.0
  Ag  Ag9  1  0.92  0.05  0.91  1.0

Tl Tl Tl Tl Ag Ag Ag Ag Ag Ag
Tl Tl Tl Tl Ag Ag Ag Ag Ag Ag 0 2 o o o 1 3 o o o 1 9 + o o 1 6 o o + 2 8 o o + 4 6 o o o 5 7 o o o 6 8 + o o 