data_[Tl8Ru12O38]
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 [I23]
_cell_length_a [9.3875]
_cell_length_b [9.3875]
_cell_length_c [9.3875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Tl4Ru6O19]
_chemical_formula_sum '[Tl8 Ru12 O38]'
_cell_volume [827.2750]
_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  0.1471  0.1471  0.8529  1
  Ru  Ru1  12  0.0000  0.3366  0.5000  1
  O  O2  24  0.0011  0.3415  0.2906  1
  O  O3  12  0.0000  0.0000  0.3704  1
  O  O4  2  0.0000  0.0000  0.0000  1
]