data_[Ac12Ir4Ru4]
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 [C2/m]
_cell_length_a [15.4537]
_cell_length_b [4.4622]
_cell_length_c [11.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3IrRu]
_chemical_formula_sum '[Ac12 Ir4 Ru4]'
_cell_volume [636.6923]
_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  4  0.0454  0.0000  0.2299  1
  Ac  Ac1  4  0.1337  0.5000  0.5455  1
  Ac  Ac2  4  0.2310  0.5000  0.1188  1
  Ir  Ir3  4  0.1023  0.5000  0.7874  1
  Ru  Ru4  4  0.2230  0.5000  0.3860  1
]