data_[Ac24Zn2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.6475]
_cell_length_b [10.6475]
_cell_length_c [10.6475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Ac12ZnNi6]
_chemical_formula_sum '[Ac24 Zn2 Ni12]'
_cell_volume [1207.1066]
_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  24  0.0000  0.3107  0.8181  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  12  0.0000  0.1188  0.5000  1
]