data_[Ac20Ir8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9002]
_cell_length_b [13.8454]
_cell_length_c [14.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac5Ir2Ru]
_chemical_formula_sum '[Ac20 Ir8 Ru4]'
_cell_volume [1186.5498]
_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  0.0000  0.0515  0.1197  1
  Ac  Ac1  8  0.0000  0.3272  0.0678  1
  Ac  Ac2  4  0.0000  0.2587  0.7500  1
  Ir  Ir3  8  0.0000  0.1484  0.5623  1
  Ru  Ru4  4  0.0000  0.1990  0.2500  1
]