data_[Ac8Ir4Ru2]
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 [14.0310]
_cell_length_b [4.1700]
_cell_length_c [9.2451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Ir2Ru]
_chemical_formula_sum '[Ac8 Ir4 Ru2]'
_cell_volume [424.0660]
_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  0.0605  0.0000  0.3636  1
  Ac  Ac1  4  0.1831  0.5000  0.0962  1
  Ir  Ir2  4  0.1112  0.5000  0.6852  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]