data_[Tl8O6]
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 [P2_1/m]
_cell_length_a [8.1037]
_cell_length_b [3.5555]
_cell_length_c [11.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl4O3]
_chemical_formula_sum '[Tl8 O6]'
_cell_volume [308.5574]
_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  2  0.0972  0.2500  0.3776  1.0
  Tl  Tl1  2  0.2422  0.7500  0.1313  1.0
  Tl  Tl2  2  0.3005  0.2500  0.8330  1.0
  Tl  Tl3  2  0.4363  0.7500  0.6091  1.0
  O  O4  2  0.2499  0.2500  0.6007  1.0
  O  O5  2  0.3597  0.7500  0.3929  1.0
  O  O6  2  0.4766  0.2500  0.1804  1.0
]