data_[Ac3La18Y36]
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 [R-3]
_cell_length_a [15.9144]
_cell_length_b [15.9144]
_cell_length_c [8.9490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac(LaY2)6]
_chemical_formula_sum '[Ac3 La18 Y36]'
_cell_volume [1962.8383]
_cell_formula_units_Z [3]
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  18  0.0353  0.7550  0.3336  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  Y  Y2  18  0.0176  0.8769  0.6642  1
  Y  Y3  18  0.0691  0.5086  0.6669  1
]