data_[Ac6Cd8Ni4]
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 [10.7829]
_cell_length_b [5.0848]
_cell_length_c [9.0185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3(Cd2Ni)2]
_chemical_formula_sum '[Ac6 Cd8 Ni4]'
_cell_volume [486.7296]
_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  4  0.1110  0.5000  0.6927  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.1075  0.0000  0.4114  1
  Cd  Cd3  4  0.2077  0.5000  0.0927  1
  Ni  Ni4  4  0.1758  0.5000  0.3786  1
]