data_[Ac6Mg8Al8]
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 [Immm]
_cell_length_a [4.8982]
_cell_length_b [7.6261]
_cell_length_c [16.0523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3(MgAl)4]
_chemical_formula_sum '[Ac6 Mg8 Al8]'
_cell_volume [599.6158]
_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  0.0000  0.0000  0.1253  1
  Ac  Ac1  2  0.0000  0.5000  0.0000  1
  Mg  Mg2  8  0.0000  0.1923  0.3301  1
  Al  Al3  4  0.0000  0.3224  0.5000  1
  Al  Al4  4  0.0000  0.5000  0.2172  1
]