data_[Mg4Cd12]
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 [Pnma]
_cell_length_a [5.4945]
_cell_length_b [10.0654]
_cell_length_c [6.5177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MgCd3]
_chemical_formula_sum '[Mg4 Cd12]'
_cell_volume [360.4533]
_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
[
  Mg  Mg0  4  0.0793  0.2500  0.6155  1.0
  Cd  Cd1  8  0.2493  0.0047  0.8722  1.0
  Cd  Cd2  4  0.0775  0.2500  0.1217  1.0
]