data_[Li26Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.7033]
_cell_length_b [6.1667]
_cell_length_c [9.8935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li13Sn3]
_chemical_formula_sum '[Li26 Sn6]'
_cell_volume [592.0037]
_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  8  0.2412  0.2384  0.2393  1.0
  Li  Li1  4  0.0000  0.2279  0.0525  1.0
  Li  Li2  4  0.2393  0.0000  0.4872  1.0
  Li  Li3  4  0.5000  0.2318  0.4680  1.0
  Li  Li4  2  0.0000  0.0000  0.8142  1.0
  Li  Li5  2  0.5000  0.0000  0.1833  1.0
  Li  Li6  2  0.5000  0.0000  0.7526  1.0
  Sn  Sn7  4  0.2657  0.0000  0.9816  1.0
  Sn  Sn8  2  0.0000  0.0000  0.3140  1.0
]