data_[Mg10Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.6029]
_cell_length_b [9.6029]
_cell_length_c [4.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Mg5Cd4]
_chemical_formula_sum '[Mg10 Cd8]'
_cell_volume [398.0631]
_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
[
  Mg  Mg0  8  0.0000  0.3308  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  8  0.1664  0.1664  0.5000  1.0
]