data_TlIn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   3.69
_cell_angle_alpha   104.19
_cell_angle_beta   104.19
_cell_angle_gamma   121.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Br
_chemical_formula_sum   'Tl1 In2 Br1'
_cell_volume   122.56
_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  0.28  0.0  0.0  1.0
  In  In1  1  0.71  0.93  0.59  1.0
  In  In2  1  0.71  0.07  0.59  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TlIn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.68
_cell_length_c   6.72
_cell_angle_alpha   113.83
_cell_angle_beta   104.19
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Br
_chemical_formula_sum   'Tl1 In2 Br1'
_cell_volume   122.56
_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  0.0  0.28  1.0
  In  In1  1  0.53  0.93  0.64  1.0
  In  In2  1  0.66  0.07  0.78  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl In In Br
Tl In In Br 0 3 o o o 1 2 o + o 1 3 + + + 