data_[Tl10Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [10.3721]
_cell_length_b [13.4647]
_cell_length_c [19.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Tl5Br7]
_chemical_formula_sum '[Tl10 Br14]'
_cell_volume [2742.9202]
_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  0.1869  0.0000  0.6112  1
  Tl  Tl1  4  0.2500  0.2500  0.4780  1
  Tl  Tl2  2  0.0000  0.5000  0.4388  1
  Br  Br3  4  0.0000  0.1780  0.5795  1
  Br  Br4  4  0.0000  0.3263  0.3749  1
  Br  Br5  4  0.2278  0.0000  0.4485  1
  Br  Br6  2  0.0000  0.5000  0.5771  1
]