data_[Ac4Nd4Y20]
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 [C2/c]
_cell_length_a [9.0363]
_cell_length_b [9.9190]
_cell_length_c [11.6870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcNdY5]
_chemical_formula_sum '[Ac4 Nd4 Y20]'
_cell_volume [980.0984]
_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
[
  Ac  Ac0  4  0.2500  0.2500  0.5000  1
  Nd  Nd1  4  0.0000  0.2638  0.7500  1
  Y  Y2  8  0.1262  0.4262  0.1661  1
  Y  Y3  8  0.1687  0.1041  0.0359  1
  Y  Y4  4  0.0000  0.0765  0.2500  1
]