data_[Ac12Ir2C4Cl6]
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
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3253]
_cell_length_b [4.1234]
_cell_length_c [9.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6IrC2Cl3]
_chemical_formula_sum '[Ac12 Ir2 C4 Cl6]'
_cell_volume [687.2256]
_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  0.0210  0.0000  0.2443  1
  Ac  Ac1  4  0.1612  0.5000  0.1250  1
  Ac  Ac2  4  0.1811  0.5000  0.5542  1
  Ir  Ir3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1689  0.0000  0.3333  1
  Cl  Cl5  4  0.1671  0.0000  0.8258  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]