data_Tl3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   7.39
_cell_length_c   10.72
_cell_angle_alpha   55.39
_cell_angle_beta   42.99
_cell_angle_gamma   81.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Br2
_chemical_formula_sum   'Tl6 Br4'
_cell_volume   347.51
_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  Tl4  1  0.9  0.3  0.49  1.0
  Tl  Tl5  1  0.51  0.43  0.49  1.0
  Tl  Tl6  1  0.25  0.61  0.04  1.0
  Tl  Tl7  1  0.87  0.48  0.04  1.0
  Tl  Tl8  1  0.71  0.36  0.5  1.0
  Tl  Tl9  1  0.35  0.18  0.86  1.0
  Br  Br0  1  0.47  0.43  0.06  1.0
  Br  Br1  1  0.95  0.3  0.06  1.0
  Br  Br2  1  0.11  0.48  0.51  1.0
  Br  Br3  1  0.3  0.24  0.51  1.0

data_Tl3Br2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.2
_cell_length_b   7.39
_cell_length_c   8.92
_cell_angle_alpha   81.62
_cell_angle_beta   69.67
_cell_angle_gamma   65.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Br2
_chemical_formula_sum   'Tl6 Br4'
_cell_volume   347.51
_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  0.38  0.49  0.1  1.0
  Tl  Tl1  1  0.39  0.96  0.79  1.0
  Tl  Tl2  1  0.43  0.08  1.0  1.0
  Tl  Tl3  1  0.57  0.13  0.79  1.0
  Tl  Tl4  1  0.68  0.22  0.61  1.0
  Tl  Tl5  1  0.9  0.35  0.71  1.0
  Br  Br6  1  0.05  0.25  0.19  1.0
  Br  Br7  1  0.1  0.01  0.38  1.0
  Br  Br8  1  0.3  0.64  1.0  1.0
  Br  Br9  1  0.95  0.52  0.48  1.0

Tl Tl Tl Tl Tl Tl Br Br Br Br