data_[Ba4Li2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0560]
_cell_length_b [4.1714]
_cell_length_c [6.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2LiCd]
_chemical_formula_sum '[Ba4 Li2 Cd2]'
_cell_volume [312.4387]
_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
[
  Ba  Ba0  2  0.0176  0.0000  0.0419  1.0
  Ba  Ba1  2  0.2170  0.0000  0.6839  1.0
  Li  Li2  2  0.2986  0.5000  0.2741  1.0
  Cd  Cd3  2  0.4668  0.0000  0.5001  1.0
]