data_[Ac8La24Y16]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.4630]
_cell_length_b [10.5592]
_cell_length_c [22.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [AcLa3Y2]
_chemical_formula_sum '[Ac8 La24 Y16]'
_cell_volume [1758.9077]
_cell_formula_units_Z [8]
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
[
  La  La0  16  0.0000  0.0000  0.1657  1
  La  La1  8  0.0000  0.0000  0.0000  1
  Ac  Ac2  8  0.0000  0.0000  0.5000  1
  Y  Y3  16  0.0000  0.0000  0.3338  1
]