data_[Ac6Tb2Nd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [6.7373]
_cell_length_b [9.5628]
_cell_length_c [14.3953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [Ac3TbNd8]
_chemical_formula_sum '[Ac6 Tb2 Nd16]'
_cell_volume [927.4570]
_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  0.0000  0.1313  1
  Tb  Tb1  2  0.0000  0.5000  0.0000  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  8  0.1305  0.1567  0.6019  1
  Nd  Nd4  8  0.1395  0.3512  0.7938  1
]