data_[Ac6La16Y2]
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 [Immm]
_cell_length_a [6.8858]
_cell_length_b [11.8514]
_cell_length_c [11.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3La8Y]
_chemical_formula_sum '[Ac6 La16 Y2]'
_cell_volume [973.9112]
_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
[
  La  La0  8  0.0000  0.2449  0.1730  1
  La  La1  8  0.2218  0.5000  0.2747  1
  Ac  Ac2  4  0.0000  0.2577  0.5000  1
  Ac  Ac3  2  0.0000  0.5000  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
]