data_[Li16Mg4Cd6]
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 [C2/m]
_cell_length_a [13.6433]
_cell_length_b [7.5766]
_cell_length_c [5.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Mg2Cd3]
_chemical_formula_sum '[Li16 Mg4 Cd6]'
_cell_volume [553.2220]
_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
[
  Li  Li0  8  0.1162  0.3141  0.6715  1
  Li  Li1  4  0.1061  0.5000  0.1908  1
  Li  Li2  4  0.2000  0.0000  0.9194  1
  Mg  Mg3  4  0.1951  0.0000  0.3992  1
  Cd  Cd4  4  0.0000  0.1930  0.0000  1
  Cd  Cd5  2  0.0000  0.0000  0.5000  1
]