data_[Li6Mg4Cd8]
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 [10.2551]
_cell_length_b [4.8198]
_cell_length_c [8.8214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(MgCd2)2]
_chemical_formula_sum '[Li6 Mg4 Cd8]'
_cell_volume [356.3308]
_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  0.0118  0.0000  0.6726  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1673  0.5000  0.3419  1.0
  Cd  Cd3  4  0.1623  0.5000  0.0045  1.0
  Cd  Cd4  4  0.1678  0.5000  0.6735  1.0
]