data_[Tl3Au3Se6O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1308]
_cell_length_b [5.1308]
_cell_length_c [26.7820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TlAu(SeO4)2]
_chemical_formula_sum '[Tl3 Au3 Se6 O24]'
_cell_volume [610.5698]
_cell_formula_units_Z [3]
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  0.0000  0.5000  1
  Au  Au1  3  0.0000  0.0000  0.0000  1
  Se  Se2  6  0.0000  0.0000  0.2629  1
  O  O3  18  0.0020  0.6864  0.7172  1
  O  O4  6  0.0000  0.0000  0.2010  1
]