data_[Tl10Sn4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0738]
_cell_length_b [8.3667]
_cell_length_c [10.8486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(SnBr6)2]
_chemical_formula_sum '[Tl10 Sn4 Br24]'
_cell_volume [1528.7461]
_cell_formula_units_Z [2]
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  4  0.1979  0.5000  0.7679  1.0
  Tl  Tl1  4  0.2125  0.5000  0.3662  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.0000  0.2497  0.0000  1.0
  Br  Br4  8  0.1441  0.2542  0.5598  1.0
  Br  Br5  8  0.1558  0.2506  0.0223  1.0
  Br  Br6  4  0.0061  0.5000  0.1806  1.0
  Br  Br7  4  0.0091  0.0000  0.1791  1.0
]