data_[Li2Sc4Cd2]
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 [Cm]
_cell_length_a [11.2204]
_cell_length_b [3.3501]
_cell_length_c [5.0740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSc2Cd]
_chemical_formula_sum '[Li2 Sc4 Cd2]'
_cell_volume [173.5606]
_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  0.2719  0.5000  0.2578  1
  Sc  Sc1  2  0.0096  0.0000  0.0196  1
  Sc  Sc2  2  0.2385  0.0000  0.7292  1
  Cd  Cd3  2  0.4800  0.0000  0.4934  1
]