data_In3SnO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3SnO
_chemical_formula_sum   'In3 Sn1 O1'
_cell_volume   116.15
_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
  In  In2  1  0.0  0.44  0.0  1.0
  In  In3  1  0.0  0.0  0.44  1.0
  In  In4  1  0.44  0.0  0.0  1.0
  Sn  Sn0  1  0.44  0.44  0.44  1.0
  O  O1  1  0.0  0.0  0.0  1.0

data_In3SnO
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In3SnO
_chemical_formula_sum   'In9 Sn3 O3'
_cell_volume   348.44
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.19  0.37  0.81  1.0
  Sn  Sn1  3  0.0  0.0  0.44  1.0
  O  O2  3  0.0  0.0  0.0  1.0

In In In Sn O
In3SnO crystallizes in the trigonal R3m space group. In(1) is bonded in a distorted single-bond geometry to three equivalent Sn(1) and two equivalent O(1) atoms. There is one shorter (3.03 Å) and two longer (3.48 Å) In(1)-Sn(1) bond lengths. There is one shorter (2.14 Å) and one longer (2.73 Å) In(1)-O(1) bond length. Sn(1) is bonded in a 9-coordinate geometry to nine equivalent In(1) atoms. O(1) is bonded to six equivalent In(1) atoms to form distorted corner-sharing OIn6 octahedra. The corner-sharing octahedra are not tilted.