data_[Mg4Al2Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2814]
_cell_length_b [4.6284]
_cell_length_c [8.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2AlCd6]
_chemical_formula_sum '[Mg4 Al2 Cd12]'
_cell_volume [406.6808]
_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  4  0.0272  0.0000  0.8146  1
  Al  Al1  2  0.0000  0.5000  0.5000  1
  Cd  Cd2  4  0.1424  0.5000  0.0700  1
  Cd  Cd3  4  0.1681  0.0000  0.5301  1
  Cd  Cd4  4  0.2204  0.5000  0.7650  1
]