data_[Ba8Li4Sn8]
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 [12.2006]
_cell_length_b [5.2568]
_cell_length_c [12.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2LiSn2]
_chemical_formula_sum '[Ba8 Li4 Sn8]'
_cell_volume [707.9797]
_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  0.0227  0.5000  0.3339  1.0
  Ba  Ba1  4  0.1910  0.5000  0.1050  1.0
  Li  Li2  4  0.2277  0.0000  0.3626  1.0
  Sn  Sn3  4  0.0071  0.0000  0.8854  1.0
  Sn  Sn4  4  0.1368  0.0000  0.5647  1.0
]