data_[Ac2Pr8Nd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.9896]
_cell_length_b [12.9896]
_cell_length_c [7.0010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ac(Pr2Nd5)2]
_chemical_formula_sum '[Ac2 Pr8 Nd20]'
_cell_volume [1181.2802]
_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  0.0000  1
  Pr  Pr1  8  0.0667  0.1793  0.5000  1
  Nd  Nd2  16  0.1305  0.7056  0.2491  1
  Nd  Nd3  4  0.0000  0.5000  0.2500  1
]