data_[Mg8Zn4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2103]
_cell_length_b [6.2615]
_cell_length_c [5.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2ZnCd]
_chemical_formula_sum '[Mg8 Zn4 Cd4]'
_cell_volume [320.5638]
_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  8  0.1100  0.2561  0.7919  1.0
  Zn  Zn1  4  0.1412  0.5000  0.2936  1.0
  Cd  Cd2  4  0.1425  0.0000  0.3007  1.0
]