data_[Ac2Nd16Y4]
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 [Immm]
_cell_length_a [5.6944]
_cell_length_b [8.5683]
_cell_length_c [16.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac(Nd4Y)2]
_chemical_formula_sum '[Ac2 Nd16 Y4]'
_cell_volume [794.0436]
_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  0.5000  0.5000  1
  Nd  Nd1  8  0.0000  0.2015  0.3561  1
  Nd  Nd2  4  0.0000  0.0000  0.1610  1
  Nd  Nd3  4  0.0000  0.2972  0.0000  1
  Y  Y4  4  0.0000  0.5000  0.2006  1
]