data_[Mg12Zn2Cd4]
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 [P2_1/c]
_cell_length_a [5.7755]
_cell_length_b [9.8312]
_cell_length_c [7.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg6ZnCd2]
_chemical_formula_sum '[Mg12 Zn2 Cd4]'
_cell_volume [397.9044]
_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  0.0046  0.6671  0.9401  1
  Mg  Mg1  4  0.2085  0.0446  0.1631  1
  Mg  Mg2  4  0.4619  0.2079  0.8569  1
  Zn  Zn3  2  0.5000  0.0000  0.5000  1
  Cd  Cd4  4  0.2701  0.5778  0.3016  1
]