data_[Ac24Nd4Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9649]
_cell_length_b [14.2012]
_cell_length_c [7.6827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac6NdNi3]
_chemical_formula_sum '[Ac24 Nd4 Ni12]'
_cell_volume [1305.4212]
_cell_formula_units_Z [4]
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  8  0.1647  0.4598  0.3212  1
  Ac  Ac1  8  0.2227  0.1957  0.1850  1
  Ac  Ac2  4  0.0000  0.0350  0.8520  1
  Ac  Ac3  4  0.0000  0.2258  0.5099  1
  Nd  Nd4  4  0.0000  0.3301  0.9525  1
  Ni  Ni5  8  0.1933  0.0955  0.5287  1
  Ni  Ni6  4  0.0000  0.4187  0.6304  1
]