data_[Li24Mg20Cd16]
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 [3.0764]
_cell_length_b [25.5360]
_cell_length_c [15.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6Mg5Cd4]
_chemical_formula_sum '[Li24 Mg20 Cd16]'
_cell_volume [1209.7731]
_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  4  0.0000  0.0956  0.0853  1
  Li  Li1  4  0.0000  0.2376  0.4524  1
  Li  Li2  4  0.0000  0.2686  0.7931  1
  Li  Li3  4  0.0000  0.4108  0.1322  1
  Li  Li4  4  0.0000  0.4310  0.4381  1
  Li  Li5  4  0.0000  0.4661  0.8626  1
  Mg  Mg6  4  0.0000  0.1899  0.6194  1
  Mg  Mg7  4  0.0000  0.3096  0.6210  1
  Mg  Mg8  4  0.0000  0.3388  0.2886  1
  Mg  Mg9  4  0.0000  0.3671  0.9530  1
  Mg  Mg10  4  0.0000  0.4770  0.6811  1
  Cd  Cd11  4  0.0000  0.0182  0.5191  1
  Cd  Cd12  4  0.0000  0.0566  0.7858  1
  Cd  Cd13  4  0.0000  0.1258  0.2710  1
  Cd  Cd14  4  0.0000  0.1692  0.9528  1
]