data_[Ac6La6Y8]
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 [Amm2]
_cell_length_a [3.7806]
_cell_length_b [14.1626]
_cell_length_c [14.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ac3La3Y4]
_chemical_formula_sum '[Ac6 La6 Y8]'
_cell_volume [766.1048]
_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  0.2500  0.7509  1
  La  La1  4  0.5000  0.1758  0.5022  1
  Ac  Ac2  2  0.5000  0.0000  0.1756  1
  La  La3  2  0.5000  0.0000  0.8227  1
  Y  Y4  4  0.0000  0.1206  0.9944  1
  Y  Y5  2  0.0000  0.0000  0.3852  1
  Y  Y6  2  0.0000  0.0000  0.6215  1
]