data_[Ac24Mg8Al4]
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 [10.8581]
_cell_length_b [11.0792]
_cell_length_c [11.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac6Mg2Al]
_chemical_formula_sum '[Ac24 Mg8 Al4]'
_cell_volume [1381.8668]
_cell_formula_units_Z [4]
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  8  0.0000  0.1776  0.2567  1
  Ac  Ac1  8  0.1739  0.5000  0.2372  1
  Ac  Ac2  8  0.2440  0.3072  0.5000  1
  Mg  Mg3  4  0.0000  0.3678  0.0000  1
  Mg  Mg4  4  0.1337  0.0000  0.5000  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
]