data_[Li24Mg4Cd12]
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 [Cmc2_1]
_cell_length_a [9.6915]
_cell_length_b [15.0078]
_cell_length_c [5.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6MgCd3]
_chemical_formula_sum '[Li24 Mg4 Cd12]'
_cell_volume [786.9484]
_cell_formula_units_Z [4]
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  8  0.1400  0.4433  0.0406  1.0
  Li  Li1  8  0.2488  0.2180  0.3802  1.0
  Li  Li2  4  0.0000  0.0352  0.2893  1.0
  Li  Li3  4  0.0000  0.2531  0.1411  1.0
  Mg  Mg4  4  0.0000  0.1701  0.6630  1.0
  Cd  Cd5  8  0.2079  0.0965  0.9824  1.0
  Cd  Cd6  4  0.0000  0.3662  0.5855  1.0
]