data_[Ac4Cd12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3264]
_cell_length_b [4.2761]
_cell_length_c [8.5419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcCd3Ni2]
_chemical_formula_sum '[Ac4 Cd12 Ni8]'
_cell_volume [523.9749]
_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  4  0.1431  0.0000  0.0792  1
  Cd  Cd1  4  0.0339  0.0000  0.3644  1
  Cd  Cd2  4  0.1115  0.5000  0.7201  1
  Cd  Cd3  4  0.1790  0.5000  0.4500  1
  Ni  Ni4  4  0.0094  0.5000  0.1445  1
  Ni  Ni5  4  0.2003  0.0000  0.6828  1
]