data_[Tl16Au2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4899]
_cell_length_b [7.2039]
_cell_length_c [9.3919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8AuO4]
_chemical_formula_sum '[Tl16 Au2 O8]'
_cell_volume [643.9212]
_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  8  0.0631  0.2550  0.7920  1
  Tl  Tl1  4  0.1843  0.5000  0.2165  1
  Tl  Tl2  4  0.1904  0.0000  0.2189  1
  Au  Au3  2  0.0000  0.0000  0.5000  1
  O  O4  4  0.0000  0.2442  0.0000  1
  O  O5  4  0.2491  0.5000  0.9958  1
]