data_[Tl6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0244]
_cell_length_b [3.5850]
_cell_length_c [5.8682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3O4]
_chemical_formula_sum '[Tl6 O8]'
_cell_volume [231.7442]
_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  0.1936  0.5000  0.6846  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1297  0.5000  0.9844  1.0
  O  O3  4  0.1383  0.0000  0.4215  1.0
]