data_[Tl8H8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.4077]
_cell_length_b [3.8417]
_cell_length_c [23.4868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [TlHO]
_chemical_formula_sum '[Tl8 H8 O8]'
_cell_volume [487.8474]
_cell_formula_units_Z [8]
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  2  0.4124  0.0125  0.9294  1
  Tl  Tl1  2  0.4315  0.0174  0.1769  1
  Tl  Tl2  2  0.9206  0.4825  0.5561  1
  Tl  Tl3  2  0.9584  0.4939  0.8116  1
  H  H4  2  0.3276  0.0144  0.0496  1
  H  H5  2  0.8202  0.4883  0.6921  1
  H  H6  2  0.8240  0.4877  0.4366  1
  H  H7  2  0.9773  0.0142  0.2299  1
  O  O8  2  0.1288  0.0161  0.2534  1
  O  O9  2  0.1951  0.0144  0.0206  1
  O  O10  2  0.6918  0.4877  0.7210  1
  O  O11  2  0.6955  0.4878  0.4655  1
]