data_[Li4Mg3Cd2]
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 [P-3m1]
_cell_length_a [4.7688]
_cell_length_b [4.7688]
_cell_length_c [8.7887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li4Mg3Cd2]
_chemical_formula_sum '[Li4 Mg3 Cd2]'
_cell_volume [173.0885]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3296  1.0
  Li  Li1  2  0.3333  0.6667  0.1024  1.0
  Mg  Mg2  2  0.3333  0.6667  0.4269  1.0
  Mg  Mg3  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  2  0.3333  0.6667  0.7739  1.0
]