data_[Ac4U2Al2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  U  1.3800  1.7500  0.9913
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1298]
_cell_length_b [5.5243]
_cell_length_c [8.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2UAlIr6]
_chemical_formula_sum '[Ac4 U2 Al2 Ir12]'
_cell_volume [448.5175]
_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  0.2260  0.5000  0.1568  1
  U  U1  2  0.0000  0.5000  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.0135  0.2482  0.2467  1
  Ir  Ir4  4  0.2450  0.5000  0.5326  1
]