data_[Li4Ru2F12]
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 [Pnnm]
_cell_length_a [4.7813]
_cell_length_b [5.3383]
_cell_length_c [8.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li2RuF6]
_chemical_formula_sum '[Li4 Ru2 F12]'
_cell_volume [218.2281]
_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
[
  Li  Li0  4  0.0000  0.5000  0.3126  1.0
  Ru  Ru1  2  0.0000  0.0000  0.5000  1.0
  F  F2  8  0.2301  0.1540  0.3382  1.0
  F  F3  4  0.1994  0.6777  0.5000  1.0
]