data_[Ac12La8Y4]
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 [C2/c]
_cell_length_a [9.6308]
_cell_length_b [10.6610]
_cell_length_c [9.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac3La2Y]
_chemical_formula_sum '[Ac12 La8 Y4]'
_cell_volume [970.9587]
_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
[
  La  La0  8  0.1310  0.2495  0.6212  1
  Ac  Ac1  8  0.2302  0.0821  0.9875  1
  Ac  Ac2  4  0.0000  0.4250  0.2500  1
  Y  Y3  4  0.0000  0.0989  0.2500  1
]