data_[Li18Ru3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.0098]
_cell_length_b [9.0098]
_cell_length_c [8.9238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6RuF12]
_chemical_formula_sum '[Li18 Ru3 F36]'
_cell_volume [627.3553]
_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
[
  Li  Li0  18  0.0021  0.2239  0.3884  1
  Ru  Ru1  3  0.0000  0.0000  0.0000  1
  F  F2  18  0.0011  0.2117  0.6145  1
  F  F3  18  0.0056  0.8330  0.8780  1
]