data_[Ac4La2Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4321]
_cell_length_b [4.6308]
_cell_length_c [20.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac2LaAl4]
_chemical_formula_sum '[Ac4 La2 Al8]'
_cell_volume [413.3279]
_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  0.1852  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Al  Al2  4  0.0000  0.0000  0.3674  1
  Al  Al3  4  0.0000  0.5000  0.0632  1
]