data_InSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2B
_chemical_formula_sum   'In1 Sn2 B1'
_cell_volume   89.56
_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  In1  1  0.0  0.0  0.2  1.0
  Sn  Sn2  1  0.63  0.63  0.89  1.0
  Sn  Sn3  1  0.63  0.63  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_InSn2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSn2B
_chemical_formula_sum   'In2 Sn4 B2'
_cell_volume   179.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.2  1.0
  Sn  Sn1  2  0.13  0.5  0.51  1.0
  Sn  Sn2  2  0.13  0.5  0.89  1.0
  B  B3  2  0.0  0.0  0.0  1.0

In Sn Sn B
In Sn Sn B 0 3 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 + + + 1 2 o o o 2 2 + o o 2 2 o + o 
InBSn2 crystallizes in the monoclinic Cm space group. In(1) is bonded in a single-bond geometry to one B(1) and three equivalent Sn(2) atoms. The In(1)-B(1) bond length is 1.65 Å. There is one shorter (3.09 Å) and two longer (3.52 Å) In(1)-Sn(2) bond lengths. B(1) is bonded in a 4-coordinate geometry to one In(1) and three equivalent Sn(1) atoms. There is one shorter (1.94 Å) and two longer (2.57 Å) B(1)-Sn(1) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 1-coordinate geometry to three equivalent B(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 3.22 Å. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to three equivalent In(1), one Sn(1), and four equivalent Sn(2) atoms. All Sn(2)-Sn(2) bond lengths are 3.27 Å.