data_[Mg18Zn3Cd36]
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 [R-3]
_cell_length_a [10.9496]
_cell_length_b [10.9496]
_cell_length_c [12.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6ZnCd12]
_chemical_formula_sum '[Mg18 Zn3 Cd36]'
_cell_volume [1263.7003]
_cell_formula_units_Z [3]
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  18  0.0274  0.5913  0.7082  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  18  0.0443  0.8582  0.8144  1.0
  Cd  Cd3  18  0.0626  0.2097  0.4091  1.0
]