data_[Ac12Ir4Rh6Cl2]
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
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8694]
_cell_length_b [4.3169]
_cell_length_c [8.7415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ir2Rh3Cl]
_chemical_formula_sum '[Ac12 Ir4 Rh6 Cl2]'
_cell_volume [691.6723]
_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  0.0014  0.0000  0.2698  1
  Ac  Ac1  4  0.1691  0.5000  0.5786  1
  Ac  Ac2  4  0.1742  0.5000  0.0884  1
  Ir  Ir3  4  0.1626  0.0000  0.3236  1
  Rh  Rh4  4  0.1568  0.0000  0.8307  1
  Rh  Rh5  2  0.0000  0.5000  0.5000  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]