data_Tl4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   92.88
_cell_angle_beta   92.88
_cell_angle_gamma   154.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Br5
_chemical_formula_sum   'Tl4 Br5'
_cell_volume   402.36
_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  Tl5  1  0.0  0.54  0.0  1.0
  Tl  Tl6  1  0.0  0.99  0.0  1.0
  Tl  Tl7  1  0.99  0.0  0.0  1.0
  Tl  Tl8  1  0.54  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.75  0.25  0.2  1.0
  Br  Br2  1  0.25  0.75  0.2  1.0
  Br  Br3  1  0.52  0.52  0.0  1.0
  Br  Br4  1  0.25  0.25  0.2  1.0

data_Tl4Br5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   19.13
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   102.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4Br5
_chemical_formula_sum   'Tl8 Br10'
_cell_volume   804.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.23  0.23  0.0  1.0
  Br  Br2  4  0.2  0.25  0.2  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0
  Br  Br4  2  0.45  0.5  0.2  1.0
  Br  Br5  2  0.48  0.0  0.0  1.0

Tl Tl Tl Tl Br Br Br Br Br