data_[Li4Ru4F16]
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 [C2/c]
_cell_length_a [12.1177]
_cell_length_b [5.1001]
_cell_length_c [5.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiRuF4]
_chemical_formula_sum '[Li4 Ru4 F16]'
_cell_volume [339.7615]
_cell_formula_units_Z [4]
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  0.0101  0.2500  1.0
  Ru  Ru1  4  0.2500  0.2500  0.5000  1.0
  F  F2  8  0.0915  0.1339  0.5130  1.0
  F  F3  8  0.2074  0.4230  0.1758  1.0
]