data_CaSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   130.49
_cell_angle_beta   130.49
_cell_angle_gamma   72.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnSb2
_chemical_formula_sum   'Ca1 Sn1 Sb2'
_cell_volume   112.57
_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
  Sn  Sn3  1  0.0  0.0  0.71  1.0
  Sb  Sb1  1  0.45  0.0  0.35  1.0
  Sb  Sb2  1  0.0  0.45  0.35  1.0

data_CaSnSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   126.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSnSb2
_chemical_formula_sum   'Ca2 Sn2 Sb4'
_cell_volume   225.14
_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
  Sn  Sn1  2  0.29  0.0  0.29  1.0
  Sb  Sb2  4  0.37  0.28  0.09  1.0

Ca Sn Sb Sb
CaSnSb2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaSnSb2 clusters. Ca(1) is bonded in a 3-coordinate geometry to one Sn(1) and two equivalent Sb(1) atoms. The Ca(1)-Sn(1) bond length is 1.72 Å. Both Ca(1)-Sb(1) bond lengths are 2.01 Å. Sn(1) is bonded in a single-bond geometry to one Ca(1) atom. Sb(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.