data_[Ac6Cd16Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8618]
_cell_length_b [11.4432]
_cell_length_c [14.0035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Cd8Sn3]
_chemical_formula_sum '[Ac6 Cd16 Sn6]'
_cell_volume [779.0770]
_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  0.0000  0.0000  0.1794  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  8  0.0000  0.2643  0.3519  1
  Cd  Cd3  8  0.0000  0.3768  0.1652  1
  Sn  Sn4  4  0.0000  0.2174  0.0000  1
  Sn  Sn5  2  0.0000  0.5000  0.5000  1
]