data_[Pa6Tl12Ru6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [R-3m]
_cell_length_a [6.1521]
_cell_length_b [6.1521]
_cell_length_c [30.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PaTl2RuO6]
_chemical_formula_sum '[Pa6 Tl12 Ru6 O36]'
_cell_volume [986.6935]
_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
[
  Pa  Pa0  6  0.0000  0.0000  0.4027  1
  Tl  Tl1  6  0.0000  0.0000  0.1383  1
  Tl  Tl2  6  0.0000  0.0000  0.2742  1
  Ru  Ru3  3  -0.0000  -0.0000  0.5000  1
  Ru  Ru4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0252  0.5126  0.7035  1
  O  O6  18  0.0467  0.5234  0.1242  1
]