data_[Ac20Sn8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [22.1129]
_cell_length_b [7.9807]
_cell_length_c [7.5986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ac5(SnRu)2]
_chemical_formula_sum '[Ac20 Sn8 Ru8]'
_cell_volume [1340.9796]
_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
[
  Ac  Ac0  8  0.0098  0.2481  0.2679  1
  Ac  Ac1  8  0.1382  0.5502  0.5166  1
  Ac  Ac2  4  0.2500  0.1170  0.5879  1
  Sn  Sn3  8  0.1039  0.5187  0.0219  1
  Ru  Ru4  4  0.0000  0.0000  0.0162  1
  Ru  Ru5  4  0.2500  0.0635  0.9471  1
]