data_[Tl4H24Br4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1243]
_cell_length_b [9.3590]
_cell_length_c [6.7663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlH6BrN2]
_chemical_formula_sum '[Tl4 H24 Br4 N8]'
_cell_volume [640.7955]
_cell_formula_units_Z [4]
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  0.0000  0.1861  0.2500  1.0
  H  H1  8  0.1389  0.4975  0.2105  1.0
  H  H2  8  0.1652  0.3860  0.0272  1.0
  H  H3  8  0.2344  0.1189  0.7742  1.0
  Br  Br4  4  0.0000  0.2549  0.7500  1.0
  N  N5  8  0.1694  0.3959  0.1779  1.0
]