data_[Ba4Li12Sn8]
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 [17.7148]
_cell_length_b [4.9018]
_cell_length_c [7.9683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi3Sn2]
_chemical_formula_sum '[Ba4 Li12 Sn8]'
_cell_volume [627.3134]
_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  0.1557  0.0000  0.0890  1.0
  Li  Li1  4  0.0115  0.0000  0.3482  1.0
  Li  Li2  4  0.0907  0.5000  0.6384  1.0
  Li  Li3  4  0.1898  0.5000  0.4524  1.0
  Sn  Sn4  4  0.0203  0.5000  0.1902  1.0
  Sn  Sn5  4  0.1734  0.0000  0.6399  1.0
]