data_CaSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.28
_cell_angle_alpha   115.78
_cell_angle_beta   115.78
_cell_angle_gamma   39.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiSn2
_chemical_formula_sum   'Ca1 Si1 Sn2'
_cell_volume   103.78
_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  0.96  0.0  0.36  1.0
  Si  Si1  1  0.84  0.0  0.68  1.0
  Sn  Sn2  1  0.28  0.0  0.32  1.0
  Sn  Sn3  1  0.86  0.0  0.66  1.0

data_CaSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.28
_cell_length_c   5.88
_cell_angle_alpha   115.78
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiSn2
_chemical_formula_sum   'Ca1 Si1 Sn2'
_cell_volume   103.78
_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  0.36  0.96  1.0
  Si  Si1  1  0.0  0.68  0.84  1.0
  Sn  Sn2  1  0.0  0.32  0.28  1.0
  Sn  Sn3  1  0.0  0.66  0.86  1.0

Ca Si Sn Sn
CaSn2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaSn2Si cluster. Ca(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one Sn(2) atom. The Ca(1)-Sn(1) bond length is 1.99 Å. The Ca(1)-Sn(2) bond length is 1.92 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second Sn site, Sn(2) is bonded in a distorted linear geometry to one Ca(1) and one Si(1) atom. The Sn(2)-Si(1) bond length is 0.21 Å. Si(1) is bonded in a single-bond geometry to one Sn(2) atom.