data_[Tl3H4O4]
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 [P1]
_cell_length_a [3.8486]
_cell_length_b [3.8895]
_cell_length_c [14.1354]
_cell_angle_alpha [88.6509]
_cell_angle_beta [89.5074]
_cell_angle_gamma [62.1567]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl3(HO)4]
_chemical_formula_sum '[Tl3 H4 O4]'
_cell_volume [187.0479]
_cell_formula_units_Z [1]
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  1  0.5520  0.4454  0.3519  1.0
  Tl  Tl1  1  0.6882  0.5263  0.6895  1.0
  Tl  Tl2  1  0.8858  0.8169  0.0212  1.0
  H  H3  1  0.1124  0.7690  0.5391  1.0
  H  H4  1  0.2021  0.2215  0.4973  1.0
  H  H5  1  0.2223  0.1438  0.1723  1.0
  H  H6  1  0.3858  0.1097  0.8339  1.0
  O  O7  1  0.1805  0.5635  0.5890  1.0
  O  O8  1  0.1853  0.0984  0.4377  1.0
  O  O9  1  0.2214  0.1508  0.1031  1.0
  O  O10  1  0.3644  0.1545  0.7650  1.0
]