data_InSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiSn2
_chemical_formula_sum   'In1 Si1 Sn2'
_cell_volume   98.42
_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  In0  1  0.83  0.83  0.83  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.5  0.5  0.5  1.0
  Sn  Sn3  1  0.66  0.66  0.66  1.0

data_InSiSn2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InSiSn2
_chemical_formula_sum   'In3 Si3 Sn6'
_cell_volume   295.27
_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  3  0.0  0.0  0.17  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.34  1.0
  Sn  Sn3  3  0.0  0.0  0.5  1.0

In Si Sn Sn
In Si Sn Sn 0 3 o o o 0 1 + + + 2 3 o o o 
InSn2Si crystallizes in the trigonal R3m space group. In(1) is bonded to one Sn(2), three equivalent Sn(1), and one Si(1) atom to form distorted InSiSn4 trigonal bipyramids that share corners with six equivalent In(1)SiSn4 trigonal bipyramids,  a cornercorner with one Sn(1)In3Sn trigonal pyramid, corners with three equivalent Si(1)InSn3 trigonal pyramids, and edges with three equivalent Sn(2)InSi3Sn trigonal bipyramids. The In(1)-Sn(2) bond length is 2.13 Å. All In(1)-Sn(1) bond lengths are 2.99 Å. The In(1)-Si(1) bond length is 2.13 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent In(1) and one Sn(2) atom to form SnIn3Sn trigonal pyramids that share  a cornercorner with one In(1)SiSn4 trigonal bipyramid, corners with three equivalent Sn(2)InSi3Sn trigonal bipyramids, corners with six equivalent Sn(1)In3Sn trigonal pyramids, and edges with three equivalent Si(1)InSn3 trigonal pyramids. The Sn(1)-Sn(2) bond length is 2.13 Å. In the second Sn site, Sn(2) is bonded to one In(1), one Sn(1), and three equivalent Si(1) atoms to form distorted SnInSi3Sn trigonal bipyramids that share corners with six equivalent Sn(2)InSi3Sn trigonal bipyramids,  a cornercorner with one Si(1)InSn3 trigonal pyramid, corners with three equivalent Sn(1)In3Sn trigonal pyramids, and edges with three equivalent In(1)SiSn4 trigonal bipyramids. All Sn(2)-Si(1) bond lengths are 2.99 Å. Si(1) is bonded to one In(1) and three equivalent Sn(2) atoms to form distorted SiInSn3 trigonal pyramids that share  a cornercorner with one Sn(2)InSi3Sn trigonal bipyramid, corners with three equivalent In(1)SiSn4 trigonal bipyramids, corners with six equivalent Si(1)InSn3 trigonal pyramids, and edges with three equivalent Sn(1)In3Sn trigonal pyramids.