data_[Li2Ac8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1185]
_cell_length_b [8.5290]
_cell_length_c [8.5563]
_cell_angle_alpha [60.5672]
_cell_angle_beta [72.7048]
_cell_angle_gamma [74.0866]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(Ac2Ru)2]
_chemical_formula_sum '[Li2 Ac8 Ru4]'
_cell_volume [486.7856]
_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  1  0.1156  0.0420  0.5477  1
  Li  Li1  1  0.1224  0.4925  0.5345  1
  Ac  Ac2  1  0.3879  0.7910  0.8463  1
  Ac  Ac3  1  0.4050  0.3117  0.8291  1
  Ac  Ac4  1  0.4081  0.7860  0.3560  1
  Ac  Ac5  1  0.4476  0.2823  0.3288  1
  Ac  Ac6  1  0.8142  0.4040  0.4190  1
  Ac  Ac7  1  0.8346  0.8790  0.9229  1
  Ac  Ac8  1  0.8557  0.8748  0.4531  1
  Ac  Ac9  1  0.8575  0.4177  0.9128  1
  Ru  Ru10  1  0.1466  0.6816  0.6968  1
  Ru  Ru11  1  0.6051  0.6010  0.1292  1
  Ru  Ru12  1  0.6184  0.0929  0.6358  1
  Ru  Ru13  1  0.6313  0.5935  0.6380  1
]