data_TlInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   4.83
_cell_angle_alpha   90.23
_cell_angle_beta   90.23
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInBr2
_chemical_formula_sum   'Tl1 In1 Br2'
_cell_volume   138.77
_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  0.36  0.0  0.63  1.0
  In  In2  1  0.17  0.0  0.06  1.0
  Br  Br0  1  0.12  0.0  0.54  1.0
  Br  Br1  1  0.15  0.0  0.02  1.0

data_TlInBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.83
_cell_length_c   6.68
_cell_angle_alpha   90.23
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInBr2
_chemical_formula_sum   'Tl1 In1 Br2'
_cell_volume   138.77
_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  0.63  0.36  1.0
  In  In1  1  0.0  0.06  0.17  1.0
  Br  Br2  1  0.0  0.02  0.15  1.0
  Br  Br3  1  0.0  0.54  0.12  1.0

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