data_TlSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.12
_cell_angle_alpha   91.49
_cell_angle_beta   91.49
_cell_angle_gamma   41.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbBr2
_chemical_formula_sum   'Tl1 Sb1 Br2'
_cell_volume   129.75
_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  0.83  0.0  0.56  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.02  0.0  0.42  1.0
  Br  Br1  1  0.65  0.0  0.7  1.0

data_TlSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.27
_cell_length_c   7.12
_cell_angle_alpha   91.49
_cell_angle_beta   90.0
_cell_angle_gamma   110.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbBr2
_chemical_formula_sum   'Tl1 Sb1 Br2'
_cell_volume   129.75
_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  0.17  0.44  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.35  0.3  1.0
  Br  Br3  1  0.0  0.98  0.58  1.0

Tl Sb Br Br