data_[Ac2Nd6Y16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [11.0464]
_cell_length_b [11.6140]
_cell_length_c [6.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AcNd3Y8]
_chemical_formula_sum '[Ac2 Nd6 Y16]'
_cell_volume [823.0153]
_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  2  0.0000  0.0000  0.8333  1
  Nd  Nd1  4  0.0000  0.2525  0.4986  1
  Nd  Nd2  2  0.0000  0.5000  0.8336  1
  Y  Y3  8  0.1679  0.2530  0.0028  1
  Y  Y4  4  0.1653  0.5000  0.3316  1
  Y  Y5  4  0.1691  0.0000  0.3309  1
]