data_[Ba4Li12Sn4]
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 [P2_1/c]
_cell_length_a [9.0964]
_cell_length_b [7.0197]
_cell_length_c [9.5232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaLi3Sn]
_chemical_formula_sum '[Ba4 Li12 Sn4]'
_cell_volume [587.8636]
_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  0.3279  0.0751  0.7829  1
  Li  Li1  4  0.0679  0.7290  0.8544  1
  Li  Li2  4  0.1395  0.5166  0.6278  1
  Li  Li3  4  0.3468  0.5585  0.9377  1
  Sn  Sn4  4  0.0701  0.1589  0.4272  1
]