data_[Li36Mg21Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7793]
_cell_length_b [10.7793]
_cell_length_c [12.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Mg7Cd]
_chemical_formula_sum '[Li36 Mg21 Cd3]'
_cell_volume [1238.1965]
_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
[
  Li  Li0  18  0.0338  0.5830  0.7106  1
  Li  Li1  18  0.0565  0.4616  0.0851  1
  Mg  Mg2  18  0.0476  0.8615  0.8000  1
  Mg  Mg3  3  0.0000  0.0000  0.5000  1
  Cd  Cd4  3  0.0000  0.0000  0.0000  1
]