data_[Li6In12Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3566]
_cell_length_b [5.4334]
_cell_length_c [10.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3In6Sn]
_chemical_formula_sum '[Li6 In12 Sn2]'
_cell_volume [470.8804]
_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
[
  Li  Li0  2  0.1983  0.2500  0.9702  1
  Li  Li1  2  0.1998  0.7500  0.6324  1
  Li  Li2  2  0.4193  0.2500  0.7678  1
  In  In3  2  0.0083  0.7500  0.8321  1
  In  In4  2  0.0278  0.2500  0.6797  1
  In  In5  2  0.1905  0.7500  0.1282  1
  In  In6  2  0.1929  0.2500  0.4677  1
  In  In7  2  0.4049  0.2500  0.2676  1
  In  In8  2  0.4093  0.7500  0.9360  1
  Sn  Sn9  2  0.3775  0.7500  0.4284  1
]