data_[Tl8O4]
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 [6.2742]
_cell_length_b [3.6353]
_cell_length_c [13.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2O]
_chemical_formula_sum '[Tl8 O4]'
_cell_volume [296.7212]
_cell_formula_units_Z [4]
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  0.1262  0.0000  0.3647  1.0
  Tl  Tl1  4  0.2158  0.5000  0.1328  1.0
  O  O2  4  0.0765  0.5000  0.7510  1.0
]