data_[Ba8Li8Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6852]
_cell_length_b [5.1248]
_cell_length_c [12.8299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li2Sn]
_chemical_formula_sum '[Ba8 Li8 Sn4]'
_cell_volume [742.9677]
_cell_formula_units_Z [4]
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  4  0.0264  0.0000  0.3447  1.0
  Ba  Ba1  4  0.2131  0.0000  0.1299  1.0
  Li  Li2  4  0.0225  0.5000  0.1270  1.0
  Li  Li3  4  0.1857  0.5000  0.5454  1.0
  Sn  Sn4  4  0.2397  0.5000  0.3408  1.0
]