data_InSn2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   126.92
_cell_angle_beta   126.92
_cell_angle_gamma   78.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2I5
_chemical_formula_sum   'In2 Sn4 I10'
_cell_volume   603.69
_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
  In  In10  1  0.0  0.0  0.84  1.0
  In  In11  1  0.0  0.0  0.53  1.0
  Sn  Sn12  1  0.49  0.92  0.69  1.0
  Sn  Sn13  1  0.51  0.92  0.0  1.0
  Sn  Sn14  1  0.92  0.51  0.69  1.0
  Sn  Sn15  1  0.94  0.51  0.0  1.0
  I  I0  1  0.0  0.0  0.69  1.0
  I  I1  1  0.0  0.0  0.0  1.0
  I  I2  1  0.03  0.4  0.85  1.0
  I  I3  1  0.4  0.83  0.85  1.0
  I  I4  1  0.03  0.6  0.53  1.0
  I  I5  1  0.4  0.03  0.53  1.0
  I  I6  1  0.03  0.4  0.15  1.0
  I  I7  1  0.4  0.83  0.15  1.0
  I  I8  1  0.03  0.6  0.84  1.0
  I  I9  1  0.4  0.03  0.84  1.0

data_InSn2I5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   9.92
_cell_angle_alpha   116.54
_cell_angle_beta   116.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2I5
_chemical_formula_sum   'In2 Sn4 I10'
_cell_volume   603.69
_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
  In  In0  1  0.16  0.0  0.16  1.0
  In  In1  1  0.47  0.0  0.47  1.0
  Sn  Sn2  1  0.23  0.92  0.72  1.0
  Sn  Sn3  1  0.51  0.51  0.45  1.0
  Sn  Sn4  1  0.82  0.51  0.74  1.0
  Sn  Sn5  1  0.92  0.92  0.43  1.0
  I  I6  1  0.0  0.0  0.0  1.0
  I  I7  1  0.07  0.6  0.1  1.0
  I  I8  1  0.19  0.03  0.59  1.0
  I  I9  1  0.25  0.4  0.28  1.0
  I  I10  1  0.31  0.0  0.31  1.0
  I  I11  1  0.5  0.03  0.9  1.0
  I  I12  1  0.55  0.4  0.58  1.0
  I  I13  1  0.68  0.83  0.08  1.0
  I  I14  1  0.76  0.6  0.79  1.0
  I  I15  1  0.99  0.83  0.39  1.0

In In Sn Sn Sn Sn I I I I I I I I I I