data_[Li24Mg8Cd16]
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 [Fmmm]
_cell_length_a [5.8018]
_cell_length_b [9.4939]
_cell_length_c [16.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li3MgCd2]
_chemical_formula_sum '[Li24 Mg8 Cd16]'
_cell_volume [905.4472]
_cell_formula_units_Z [8]
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  16  0.0000  0.2424  0.0816  1.0
  Li  Li1  8  0.0000  0.0000  0.1634  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3346  1.0
  Cd  Cd3  8  0.2497  0.0000  0.5000  1.0
  Cd  Cd4  8  0.2500  0.2500  0.2500  1.0
]