data_[Mg6Cd6]
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 [Amm2]
_cell_length_a [4.9526]
_cell_length_b [3.3824]
_cell_length_c [15.9183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgCd]
_chemical_formula_sum '[Mg6 Cd6]'
_cell_volume [266.6559]
_cell_formula_units_Z [6]
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  2  0.0000  0.0000  0.3330  1.0
  Mg  Mg1  2  0.5000  0.0000  0.4481  1.0
  Mg  Mg2  2  0.5000  0.0000  0.7762  1.0
  Cd  Cd3  2  0.0000  0.0000  0.6701  1.0
  Cd  Cd4  2  0.0000  0.0000  0.9955  1.0
  Cd  Cd5  2  0.5000  0.0000  0.1103  1.0
]