data_[Li2Ac12Ru4]
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 [C2/m]
_cell_length_a [11.0398]
_cell_length_b [5.6995]
_cell_length_c [9.6620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Ac3Ru)2]
_chemical_formula_sum '[Li2 Ac12 Ru4]'
_cell_volume [599.6667]
_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  2  0.0000  0.0000  0.5000  1
  Ac  Ac1  4  0.0365  0.0000  0.8377  1
  Ac  Ac2  4  0.1535  0.5000  0.3843  1
  Ac  Ac3  4  0.2149  0.5000  0.8434  1
  Ru  Ru4  4  0.1007  0.5000  0.0940  1
]