data_[Ac2Mg12Cd12]
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 [Immm]
_cell_length_a [5.9849]
_cell_length_b [10.0899]
_cell_length_c [10.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac(MgCd)6]
_chemical_formula_sum '[Ac2 Mg12 Cd12]'
_cell_volume [614.1142]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.0000  0.3526  1
  Mg  Mg2  4  0.0000  0.3533  0.0000  1
  Mg  Mg3  4  0.0000  0.5000  0.2860  1
  Cd  Cd4  8  0.2500  0.2500  0.2500  1
  Cd  Cd5  4  0.0000  0.2833  0.5000  1
]