data_[Tl10H4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.1029]
_cell_length_b [4.2836]
_cell_length_c [8.3150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(HBr2)2]
_chemical_formula_sum '[Tl10 H4 Br8]'
_cell_volume [710.7713]
_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  0.1440  0.0000  0.3201  1
  Tl  Tl1  4  0.1650  0.0000  0.8994  1
  Tl  Tl2  2  0.0000  0.5000  0.0000  1
  H  H3  4  0.0961  0.5000  0.1329  1
  Br  Br4  4  0.0158  0.0000  0.7405  1
  Br  Br5  4  0.1903  0.5000  0.6527  1
]