data_[Ac6Ga18Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8415]
_cell_length_b [4.2227]
_cell_length_c [10.3320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcGa3Ir2]
_chemical_formula_sum '[Ac6 Ga18 Ir12]'
_cell_volume [702.9030]
_cell_formula_units_Z [6]
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  0.1599  0.0000  0.7110  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0473  0.0000  0.3541  1
  Ga  Ga3  4  0.1338  0.5000  0.2046  1
  Ga  Ga4  4  0.1674  0.5000  0.9609  1
  Ga  Ga5  4  0.2184  0.0000  0.3940  1
  Ga  Ga6  2  0.0000  0.5000  0.5000  1
  Ir  Ir7  4  0.0212  0.5000  0.7765  1
  Ir  Ir8  4  0.1362  0.5000  0.4476  1
  Ir  Ir9  4  0.1962  0.0000  0.1220  1
]