data_[Ac8Pd2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5363]
_cell_length_b [4.4090]
_cell_length_c [7.6795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4PdRu]
_chemical_formula_sum '[Ac8 Pd2 Ru2]'
_cell_volume [449.5410]
_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  4  0.1191  0.5000  0.3850  1
  Ac  Ac1  4  0.1200  0.0000  0.8610  1
  Ru  Ru2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]