data_[Tl5O6]
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 [P31m]
_cell_length_a [6.1405]
_cell_length_b [6.1405]
_cell_length_c [18.8787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl5O6]
_chemical_formula_sum '[Tl5 O6]'
_cell_volume [616.4662]
_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  3  0.0000  0.3401  0.5394  1
  Tl  Tl1  2  0.3333  0.6667  0.3820  1
  O  O2  3  0.0000  0.6112  0.4570  1
  O  O3  2  0.3333  0.6667  0.5875  1
  O  O4  1  0.0000  0.0000  0.5719  1
]