data_[Tl6Ru2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.2036]
_cell_length_b [8.2036]
_cell_length_c [7.6242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tl3RuF8]
_chemical_formula_sum '[Tl6 Ru2 F16]'
_cell_volume [444.3581]
_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  6  0.1580  0.3161  0.6762  1
  Ru  Ru1  2  0.3333  0.6667  0.1611  1
  F  F2  6  0.1103  0.5552  0.0202  1
  F  F3  6  0.2208  0.4417  0.3011  1
  F  F4  2  0.0000  0.0000  0.4562  1
  F  F5  2  0.3333  0.6667  0.6632  1
]