data_[Na4Mg8Cd40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3295]
_cell_length_b [13.9118]
_cell_length_c [14.1527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na(MgCd5)2]
_chemical_formula_sum '[Na4 Mg8 Cd40]'
_cell_volume [1246.2070]
_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
[
  Na  Na0  4  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  8  0.2500  0.0000  0.2500  1.0
  Cd  Cd2  16  0.0000  0.1080  0.3906  1.0
  Cd  Cd3  16  0.0000  0.1727  0.1746  1.0
  Cd  Cd4  8  0.2500  0.2500  0.0000  1.0
]