data_[Ba4Li6Sn4]
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 [12.6264]
_cell_length_b [4.9255]
_cell_length_c [7.7855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li3Sn2]
_chemical_formula_sum '[Ba4 Li6 Sn4]'
_cell_volume [430.9917]
_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  4  0.1461  0.0000  0.7549  1.0
  Li  Li1  4  0.1445  0.5000  0.4134  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  4  0.1300  0.0000  0.2077  1.0
]