data_[Tl4H24N8Cl4]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6737]
_cell_length_b [9.1785]
_cell_length_c [6.5633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlH6N2Cl]
_chemical_formula_sum '[Tl4 H24 N8 Cl4]'
_cell_volume [581.7137]
_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  0.1862  0.7500  1.0
  H  H1  8  0.1433  0.4977  0.2050  1.0
  H  H2  8  0.1621  0.3851  0.5176  1.0
  H  H3  8  0.2246  0.1185  0.2814  1.0
  N  N4  8  0.1734  0.3981  0.6726  1.0
  Cl  Cl5  4  0.0000  0.2612  0.2500  1.0
]