data_[Li2Mg4Cd12]
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 [14.9117]
_cell_length_b [8.4734]
_cell_length_c [3.1779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(MgCd3)2]
_chemical_formula_sum '[Li2 Mg4 Cd12]'
_cell_volume [399.6071]
_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  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.1658  0.5000  0.0016  1.0
  Cd  Cd2  8  0.1663  0.1677  0.5128  1.0
  Cd  Cd3  4  0.0000  0.3311  0.5000  1.0
]