data_[Li8Sc18Cd22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.9144]
_cell_length_b [20.6873]
_cell_length_c [3.2525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li4Sc9Cd11]
_chemical_formula_sum '[Li8 Sc18 Cd22]'
_cell_volume [1003.5318]
_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  0.1419  0.4005  0.5000  1
  Sc  Sc1  8  0.1088  0.2491  0.5000  1
  Sc  Sc2  8  0.1423  0.0768  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  Cd  Cd4  8  0.2498  0.3249  0.0000  1
  Cd  Cd5  4  0.0000  0.1506  0.0000  1
  Cd  Cd6  4  0.0000  0.3572  0.0000  1
  Cd  Cd7  4  0.2050  0.5000  0.0000  1
  Cd  Cd8  2  0.0000  0.0000  0.0000  1
]