data_In2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   20.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Sn
_chemical_formula_sum   'In16 Sn8'
_cell_volume   678.24
_cell_formula_units_Z   8
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
  In  In0  1  0.0  0.6  0.63  1.0
  In  In1  1  0.12  0.8  0.51  1.0
  In  In2  1  0.12  0.8  0.56  1.0
  In  In3  1  0.0  0.6  0.58  1.0
  In  In4  1  0.56  0.7  0.07  1.0
  In  In5  1  0.12  0.0  0.07  1.0
  In  In6  1  0.44  0.7  0.07  1.0
  In  In7  1  0.56  0.7  0.0  1.0
  In  In8  1  0.12  0.0  0.0  1.0
  In  In9  1  0.44  0.7  0.0  1.0
  In  In10  1  0.39  0.53  0.11  1.0
  In  In11  1  0.0  0.74  0.11  1.0
  In  In12  1  0.61  0.53  0.11  1.0
  In  In13  1  0.73  0.87  0.04  1.0
  In  In14  1  0.12  0.66  0.04  1.0
  In  In15  1  0.51  0.87  0.04  1.0
  Sn  Sn16  1  0.0  0.0  0.94  1.0
  Sn  Sn17  1  0.0  0.0  0.2  1.0
  Sn  Sn18  1  0.0  0.0  0.87  1.0
  Sn  Sn19  1  0.0  0.0  0.27  1.0
  Sn  Sn20  1  0.0  0.6  0.86  1.0
  Sn  Sn21  1  0.12  0.8  0.28  1.0
  Sn  Sn22  1  0.12  0.8  0.93  1.0
  Sn  Sn23  1  0.0  0.6  0.21  1.0

data_In2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   20.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Sn
_chemical_formula_sum   'In16 Sn8'
_cell_volume   678.24
_cell_formula_units_Z   8
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
  In  In0  1  -0.0  0.74  0.11  1.0
  In  In1  1  -0.0  0.6  0.58  1.0
  In  In2  1  -0.0  0.6  0.63  1.0
  In  In3  1  0.12  0.66  0.04  1.0
  In  In4  1  0.12  0.8  0.51  1.0
  In  In5  1  0.12  0.8  0.56  1.0
  In  In6  1  0.12  0.0  0.0  1.0
  In  In7  1  0.12  0.0  0.07  1.0
  In  In8  1  0.39  0.53  0.11  1.0
  In  In9  1  0.44  0.7  0.0  1.0
  In  In10  1  0.44  0.7  0.07  1.0
  In  In11  1  0.51  0.87  0.04  1.0
  In  In12  1  0.56  0.7  0.0  1.0
  In  In13  1  0.56  0.7  0.07  1.0
  In  In14  1  0.61  0.53  0.11  1.0
  In  In15  1  0.73  0.87  0.04  1.0
  Sn  Sn16  1  -0.0  0.6  0.21  1.0
  Sn  Sn17  1  -0.0  0.6  0.86  1.0
  Sn  Sn18  1  0.0  0.0  0.2  1.0
  Sn  Sn19  1  0.0  0.0  0.27  1.0
  Sn  Sn20  1  0.0  0.0  0.87  1.0
  Sn  Sn21  1  0.0  0.0  0.94  1.0
  Sn  Sn22  1  0.12  0.8  0.28  1.0
  Sn  Sn23  1  0.12  0.8  0.93  1.0

In In In In In In In In In In In In In In In In Sn Sn Sn Sn Sn Sn Sn Sn