data_CaInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   134.05
_cell_angle_beta   134.05
_cell_angle_gamma   67.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInSn2
_chemical_formula_sum   'Ca1 In1 Sn2'
_cell_volume   108.85
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.99  1.0
  Sn  Sn2  1  0.0  0.34  0.49  1.0
  Sn  Sn3  1  0.34  0.0  0.49  1.0

data_CaInSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   123.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaInSn2
_chemical_formula_sum   'Ca2 In2 Sn4'
_cell_volume   217.71
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.01  0.0  0.01  1.0
  Sn  Sn2  4  0.17  0.33  0.84  1.0

Ca In Sn Sn
CaInSn2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaInSn2 clusters. Ca(1) is bonded in a single-bond geometry to one In(1) and two equivalent Sn(1) atoms. The Ca(1)-In(1) bond length is 0.07 Å. Both Ca(1)-Sn(1) bond lengths are 2.13 Å. In(1) is bonded in a single-bond geometry to one Ca(1) atom. Sn(1) is bonded in a single-bond geometry to one Ca(1) atom.