data_[Ac24Pr96Sc40]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.8254]
_cell_length_b [18.8254]
_cell_length_c [18.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac3Pr12Sc5]
_chemical_formula_sum '[Ac24 Pr96 Sc40]'
_cell_volume [6671.6090]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Pr  Pr1  96  0.0631  0.1216  0.9336  1
  Sc  Sc2  24  0.0000  0.2500  0.3750  1
  Sc  Sc3  16  0.0000  0.0000  0.0000  1
]