data_[Ac2Cd6Ni2]
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 [P2_1/m]
_cell_length_a [5.6713]
_cell_length_b [6.2068]
_cell_length_c [6.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcCd3Ni]
_chemical_formula_sum '[Ac2 Cd6 Ni2]'
_cell_volume [236.5998]
_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  2  0.3479  0.2500  0.8628  1
  Cd  Cd1  4  0.1413  0.0124  0.3049  1
  Cd  Cd2  2  0.3776  0.7500  0.6298  1
  Ni  Ni3  2  0.1478  0.7500  0.9752  1
]