data_[Mg12Zn2Cd6]
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/m]
_cell_length_a [8.2597]
_cell_length_b [5.0035]
_cell_length_c [10.9052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6ZnCd3]
_chemical_formula_sum '[Mg12 Zn2 Cd6]'
_cell_volume [419.9339]
_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  2  0.0086  0.7500  0.3346  1
  Mg  Mg1  2  0.0095  0.2500  0.1652  1
  Mg  Mg2  2  0.2144  0.7500  0.1399  1
  Mg  Mg3  2  0.2313  0.2500  0.4796  1
  Mg  Mg4  2  0.3955  0.7500  0.9299  1
  Mg  Mg5  2  0.4303  0.2500  0.2910  1
  Zn  Zn6  2  0.3907  0.7500  0.4255  1
  Cd  Cd7  2  0.1772  0.7500  0.6306  1
  Cd  Cd8  2  0.1964  0.2500  0.9711  1
  Cd  Cd9  2  0.3956  0.2500  0.7726  1
]