data_CrIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Sn
_chemical_formula_sum   'Cr1 In2 Sn1'
_cell_volume   87.65
_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
  Cr  Cr0  1  0.0  0.0  0.79  1.0
  In  In1  1  0.56  0.56  0.55  1.0
  In  In2  1  0.0  0.0  0.24  1.0
  Sn  Sn3  1  0.56  0.56  0.04  1.0

data_CrIn2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIn2Sn
_chemical_formula_sum   'Cr2 In4 Sn2'
_cell_volume   175.29
_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
  Cr  Cr0  2  0.0  0.0  0.79  1.0
  In  In1  2  0.0  0.0  0.24  1.0
  In  In2  2  0.06  0.5  0.55  1.0
  Sn  Sn3  2  0.06  0.5  0.04  1.0

Cr In In Sn
Cr In In Sn 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 - - + 0 3 - o + 0 3 o - + 0 3 o o + 0 0 + o o 0 0 o + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
CrIn2Sn crystallizes in the monoclinic Cm space group. Cr(1) is bonded to four equivalent Cr(1), four equivalent In(1), and four equivalent Sn(1) atoms to form a mixture of distorted face and corner-sharing CrCr4In4Sn4 cuboctahedra. All Cr(1)-Cr(1) bond lengths are 3.11 Å. There are a spread of Cr(1)-In(1) bond distances ranging from 2.96-3.31 Å. There are a spread of Cr(1)-Sn(1) bond distances ranging from 2.94-3.29 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one In(2), and four equivalent In(1) atoms. The In(1)-In(2) bond length is 3.39 Å. All In(1)-In(1) bond lengths are 3.11 Å. In the second In site, In(2) is bonded in a 4-coordinate geometry to one In(1) and four equivalent Sn(1) atoms. There are a spread of In(2)-Sn(1) bond distances ranging from 2.70-3.08 Å. Sn(1) is bonded in a 12-coordinate geometry to four equivalent Cr(1), four equivalent In(2), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.11 Å.