data_[Na1Mg5Cd4]
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 [P4/mmm]
_cell_length_a [3.6167]
_cell_length_b [3.6167]
_cell_length_c [17.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaMg5Cd4]
_chemical_formula_sum '[Na1 Mg5 Cd4]'
_cell_volume [231.6401]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.5000  0.5000  0.1255  1.0
  Mg  Mg2  2  0.5000  0.5000  0.3124  1.0
  Mg  Mg3  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.2171  1.0
  Cd  Cd5  2  0.0000  0.0000  0.4063  1.0
]