data_[Ba16Li4Sn4]
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/c]
_cell_length_a [11.3199]
_cell_length_b [16.2152]
_cell_length_c [8.0207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4LiSn]
_chemical_formula_sum '[Ba16 Li4 Sn4]'
_cell_volume [1193.6059]
_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  8  0.1400  0.8068  0.1154  1
  Ba  Ba1  8  0.1863  0.5544  0.2597  1
  Li  Li2  4  0.0000  0.0031  0.2500  1
  Sn  Sn3  4  0.0000  0.3664  0.2500  1
]