data_[Ac2Mg18Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7490]
_cell_length_b [14.3185]
_cell_length_c [7.7605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(Mg3Al)3]
_chemical_formula_sum '[Ac2 Mg18 Al6]'
_cell_volume [593.4323]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1050  0.3900  0.2156  1
  Mg  Mg2  8  0.1783  0.1778  0.3513  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Al  Al4  4  0.2500  0.2500  0.0000  1
  Al  Al5  2  0.0000  0.5000  0.5000  1
]