data_[Ac12Pd2Ru6]
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 [P2_1/m]
_cell_length_a [12.4371]
_cell_length_b [4.3194]
_cell_length_c [12.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6PdRu3]
_chemical_formula_sum '[Ac12 Pd2 Ru6]'
_cell_volume [635.7469]
_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  2  0.0621  0.2500  0.3920  1
  Ac  Ac1  2  0.0915  0.2500  0.9316  1
  Ac  Ac2  2  0.2520  0.7500  0.2292  1
  Ac  Ac3  2  0.2567  0.2500  0.7263  1
  Ac  Ac4  2  0.4010  0.7500  0.5611  1
  Ac  Ac5  2  0.4514  0.2500  0.1056  1
  Ru  Ru6  2  0.0906  0.2500  0.1658  1
  Ru  Ru7  2  0.1675  0.7500  0.5558  1
  Pd  Pd8  2  0.2990  0.7500  0.9346  1
  Ru  Ru9  2  0.4924  0.7500  0.2758  1
]