data_[Ac8Mg12Cd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6939]
_cell_length_b [13.9720]
_cell_length_c [6.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2Mg3Cd5]
_chemical_formula_sum '[Ac8 Mg12 Cd20]'
_cell_volume [1097.4431]
_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  0.2311  0.3707  0.5000  1
  Mg  Mg1  8  0.1070  0.3614  0.0000  1
  Mg  Mg2  4  0.0000  0.0000  0.2500  1
  Cd  Cd3  8  0.0000  0.2202  0.2500  1
  Cd  Cd4  8  0.1582  0.1113  0.5000  1
  Cd  Cd5  4  0.0000  0.5000  0.2500  1
]