data_[Tl10In4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5768]
_cell_length_b [8.2880]
_cell_length_c [10.3592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(InBr6)2]
_chemical_formula_sum '[Tl10 In4 Br24]'
_cell_volume [1439.7443]
_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  0.1853  0.5000  0.8067  1.0
  Tl  Tl1  4  0.2099  0.5000  0.3691  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  In  In3  4  0.0000  0.2510  0.0000  1.0
  Br  Br4  8  0.1323  0.2435  0.5557  1.0
  Br  Br5  8  0.1555  0.2579  0.0689  1.0
  Br  Br6  4  0.0048  0.0000  0.1837  1.0
  Br  Br7  4  0.0051  0.5000  0.1894  1.0
]