data_[Na3Li6Ru3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4360]
_cell_length_b [6.4360]
_cell_length_c [17.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2RuCl6]
_chemical_formula_sum '[Na3 Li6 Ru3 Cl18]'
_cell_volume [636.4126]
_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  3  0.0000  0.0000  0.1851  1
  Li  Li1  3  0.0000  0.0000  0.4800  1
  Li  Li2  3  0.0000  0.0000  0.9940  1
  Ru  Ru3  3  0.0000  0.0000  0.6714  1
  Cl  Cl4  9  0.0057  0.3152  0.7457  1
  Cl  Cl5  9  0.0253  0.7196  0.5905  1
]