data_[Ac16Ni6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7536]
_cell_length_b [8.6992]
_cell_length_c [7.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Ni3Ru2]
_chemical_formula_sum '[Ac16 Ni6 Ru4]'
_cell_volume [862.8089]
_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
[
  Ac  Ac0  8  0.1321  0.2442  0.6674  1
  Ac  Ac1  4  0.1179  0.5000  0.1719  1
  Ac  Ac2  4  0.1180  0.0000  0.1735  1
  Ni  Ni3  4  0.0000  0.2546  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.2430  0.5000  0.4886  1
]