data_[Na2Ac16Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.7657]
_cell_length_b [4.4236]
_cell_length_c [10.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAc8Ir5]
_chemical_formula_sum '[Na2 Ac16 Ir10]'
_cell_volume [1029.3573]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Ac  Ac1  4  0.0725  0.5000  0.6552  1
  Ac  Ac2  4  0.0940  0.0000  0.3451  1
  Ac  Ac3  4  0.1772  0.0000  0.9908  1
  Ac  Ac4  4  0.2396  0.0000  0.6578  1
  Ir  Ir5  4  0.1639  0.5000  0.4962  1
  Ir  Ir6  4  0.2013  0.5000  0.8222  1
  Ir  Ir7  2  0.0000  0.0000  0.5000  1
]