data_[Li16Mg6Cd4]
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 [12.3450]
_cell_length_b [8.0752]
_cell_length_c [5.7621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Mg3Cd2]
_chemical_formula_sum '[Li16 Mg6 Cd4]'
_cell_volume [567.3752]
_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  8  0.1251  0.3145  0.4557  1
  Li  Li1  4  0.0857  0.5000  0.8580  1
  Li  Li2  4  0.2155  0.0000  0.8072  1
  Mg  Mg3  4  0.0000  0.1815  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Cd  Cd5  4  0.1993  0.0000  0.2868  1
]