data_[Ac12Mg12Cd8]
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 [Pnma]
_cell_length_a [9.4558]
_cell_length_b [17.3166]
_cell_length_c [6.2932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3Mg3Cd2]
_chemical_formula_sum '[Ac12 Mg12 Cd8]'
_cell_volume [1030.4685]
_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  0.0472  0.6119  0.6165  1
  Ac  Ac1  4  0.1815  0.7500  0.1100  1
  Mg  Mg2  8  0.1856  0.5344  0.1084  1
  Mg  Mg3  4  0.1652  0.2500  0.1082  1
  Cd  Cd4  8  0.1024  0.1067  0.8763  1
]