data_[Ac96Al40Rh24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.3807]
_cell_length_b [18.3807]
_cell_length_c [18.3807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac12Al5Rh3]
_chemical_formula_sum '[Ac96 Al40 Rh24]'
_cell_volume [6209.9682]
_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  96  0.0215  0.0842  0.6481  1
  Al  Al1  24  0.0000  0.2500  0.3750  1
  Al  Al2  16  0.0000  0.0000  0.0000  1
  Rh  Rh3  24  0.0000  0.2500  0.1250  1
]