data_[Tl6Ru18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [9.2295]
_cell_length_b [9.2295]
_cell_length_c [31.5933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Tl(RuO4)3]
_chemical_formula_sum '[Tl6 Ru18 O72]'
_cell_volume [2330.6973]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4358  1
  Ru  Ru1  18  0.0245  0.6812  0.5005  1
  O  O2  18  0.1293  0.7753  0.4540  1
  O  O3  18  0.1662  0.7366  0.5419  1
  O  O4  18  0.1989  0.7803  0.8278  1
  O  O5  18  0.2004  0.7775  0.1764  1
]