data_[Li2Sc6Cd12]
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 [P2_1/m]
_cell_length_a [8.7001]
_cell_length_b [4.8385]
_cell_length_c [10.3986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(ScCd2)3]
_chemical_formula_sum '[Li2 Sc6 Cd12]'
_cell_volume [425.0238]
_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  0.0500  0.2500  0.3942  1
  Sc  Sc1  2  0.2445  0.2500  0.9914  1
  Sc  Sc2  2  0.3550  0.7500  0.7900  1
  Sc  Sc3  2  0.4619  0.2500  0.6022  1
  Cd  Cd4  2  0.0547  0.7500  0.8892  1
  Cd  Cd5  2  0.1392  0.7500  0.1939  1
  Cd  Cd6  2  0.1459  0.2500  0.6805  1
  Cd  Cd7  2  0.2308  0.7500  0.4958  1
  Cd  Cd8  2  0.3348  0.2500  0.2983  1
  Cd  Cd9  2  0.4446  0.7500  0.0950  1
]