data_[Li6Sc2Cd12]
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 [8.7000]
_cell_length_b [4.6318]
_cell_length_c [9.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3ScCd6]
_chemical_formula_sum '[Li6 Sc2 Cd12]'
_cell_volume [395.2302]
_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  0.2528  0.2500  0.0244  1
  Li  Li1  2  0.3473  0.7500  0.8120  1
  Li  Li2  2  0.4517  0.2500  0.6025  1
  Sc  Sc3  2  0.0578  0.2500  0.3997  1
  Cd  Cd4  2  0.0628  0.7500  0.9054  1
  Cd  Cd5  2  0.1656  0.7500  0.2076  1
  Cd  Cd6  2  0.1676  0.2500  0.7129  1
  Cd  Cd7  2  0.2682  0.7500  0.5235  1
  Cd  Cd8  2  0.3819  0.2500  0.3118  1
  Cd  Cd9  2  0.4734  0.7500  0.1018  1
]