data_[Li8Mg8Cd6]
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 [31.0010]
_cell_length_b [4.7893]
_cell_length_c [2.9807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Mg4Cd3]
_chemical_formula_sum '[Li8 Mg8 Cd6]'
_cell_volume [440.7265]
_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  4  0.0423  0.5000  0.3753  1.0
  Li  Li1  4  0.1822  0.0000  0.3712  1.0
  Mg  Mg2  4  0.0902  0.0000  0.6978  1.0
  Mg  Mg3  4  0.2252  0.5000  0.7825  1.0
  Cd  Cd4  4  0.1332  0.5000  0.1465  1.0
  Cd  Cd5  2  0.0000  0.0000  0.0000  1.0
]