data_TlGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Br
_chemical_formula_sum   'Tl1 Ga2 Br1'
_cell_volume   105.03
_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  0.95  0.0  0.63  1.0
  Ga  Ga1  1  0.95  0.0  0.04  1.0
  Ga  Ga2  1  0.0  0.0  0.11  1.0
  Br  Br0  1  0.0  0.0  0.95  1.0

data_TlGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Br
_chemical_formula_sum   'Tl1 Ga2 Br1'
_cell_volume   105.03
_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  0.95  0.0  0.63  1.0
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Ga  Ga2  1  0.95  0.0  0.04  1.0
  Br  Br3  1  0.0  0.0  0.95  1.0

Tl Ga Ga Br