data_[Ba1Li10Cd1]
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 [Pmmm]
_cell_length_a [4.8481]
_cell_length_b [5.8344]
_cell_length_c [10.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaLi10Cd]
_chemical_formula_sum '[Ba1 Li10 Cd1]'
_cell_volume [286.4780]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Li  Li1  4  0.5000  0.2667  0.2836  1
  Li  Li2  2  0.0000  0.0000  0.3596  1
  Li  Li3  2  0.0000  0.5000  0.2099  1
  Li  Li4  1  0.5000  0.0000  0.5000  1
  Li  Li5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  1  0.0000  0.5000  0.5000  1
]