data_Li13Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   17.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li13Sn5
_chemical_formula_sum   'Li13 Sn5'
_cell_volume   325.9
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.16  1.0
  Li  Li2  1  0.0  0.0  0.93  1.0
  Li  Li3  1  0.0  0.0  0.34  1.0
  Li  Li4  1  0.0  0.0  0.75  1.0
  Li  Li5  1  0.35  0.35  0.46  1.0
  Li  Li6  1  0.0  0.71  0.63  1.0
  Li  Li7  1  0.35  0.35  0.92  1.0
  Li  Li8  1  0.0  0.71  0.17  1.0
  Li  Li9  1  0.35  0.35  0.7  1.0
  Li  Li10  1  0.0  0.71  0.39  1.0
  Li  Li11  1  0.35  0.35  0.63  1.0
  Li  Li12  1  0.0  0.71  0.46  1.0
  Sn  Sn13  1  0.0  0.0  0.54  1.0
  Sn  Sn14  1  0.35  0.35  0.33  1.0
  Sn  Sn15  1  0.0  0.71  0.76  1.0
  Sn  Sn16  1  0.35  0.35  0.24  1.0
  Sn  Sn17  1  0.0  0.71  0.85  1.0

data_Li13Sn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   17.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li13Sn5
_chemical_formula_sum   'Li13 Sn5'
_cell_volume   325.9
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.16  1.0
  Li  Li2  1  0.0  0.0  0.34  1.0
  Li  Li3  1  0.0  0.0  0.75  1.0
  Li  Li4  1  0.0  0.0  0.93  1.0
  Li  Li5  1  0.0  0.71  0.17  1.0
  Li  Li6  1  0.0  0.71  0.39  1.0
  Li  Li7  1  0.0  0.71  0.46  1.0
  Li  Li8  1  0.0  0.71  0.63  1.0
  Li  Li9  1  0.35  0.35  0.46  1.0
  Li  Li10  1  0.35  0.35  0.63  1.0
  Li  Li11  1  0.35  0.35  0.7  1.0
  Li  Li12  1  0.35  0.35  0.92  1.0
  Sn  Sn13  1  0.0  0.0  0.54  1.0
  Sn  Sn14  1  0.0  0.71  0.76  1.0
  Sn  Sn15  1  0.0  0.71  0.85  1.0
  Sn  Sn16  1  0.35  0.35  0.24  1.0
  Sn  Sn17  1  0.35  0.35  0.33  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Li Sn Sn Sn Sn Sn