data_[Na18Ru3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [11.7946]
_cell_length_b [11.7946]
_cell_length_c [13.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6RuCl12]
_chemical_formula_sum '[Na18 Ru3 Cl36]'
_cell_volume [1600.9068]
_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
[
  Na  Na0  18  0.0319  0.7741  0.6118  1
  Ru  Ru1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0260  0.7915  0.4022  1
  Cl  Cl3  18  0.0640  0.8807  0.8989  1
]