data_[K6Tl3Ru3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7181]
_cell_length_b [7.7181]
_cell_length_c [17.4632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K2TlRuCl6]
_chemical_formula_sum '[K6 Tl3 Ru3 Cl18]'
_cell_volume [900.9067]
_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
[
  K  K0  6  0.0000  0.0000  0.2304  1.0
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1.0
  Ru  Ru2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0422  0.2728  0.0781  1.0
]