data_[Ac9Al3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2478]
_cell_length_b [5.2478]
_cell_length_c [25.5463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ac3AlNi8]
_chemical_formula_sum '[Ac9 Al3 Ni24]'
_cell_volume [609.2752]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3784  1
  Ac  Ac1  3  0.0000  0.0000  0.5081  1
  Ac  Ac2  3  0.0000  0.0000  0.9877  1
  Al  Al3  3  0.0000  0.0000  0.8592  1
  Ni  Ni4  9  0.0034  0.5017  0.4425  1
  Ni  Ni5  9  0.0042  0.5021  0.9366  1
  Ni  Ni6  3  0.0000  0.0000  0.1901  1
  Ni  Ni7  3  0.0000  0.0000  0.6892  1
]