data_Cd2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiSn
_chemical_formula_sum   'Cd2 Si1 Sn1'
_cell_volume   90.4
_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
  Cd  Cd0  1  0.0  0.0  0.47  1.0
  Cd  Cd1  1  0.0  0.25  0.24  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.25  0.0  0.24  1.0

data_Cd2SiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.49
_cell_angle_alpha   114.17
_cell_angle_beta   114.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiSn
_chemical_formula_sum   'Cd2 Si1 Sn1'
_cell_volume   90.4
_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
  Cd  Cd0  1  0.47  0.47  0.47  1.0
  Cd  Cd1  1  0.99  0.24  0.99  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.24  0.99  0.99  1.0

Cd Cd Si Sn
Cd Cd Si Sn 0 1 o o o 0 3 o o o 0 2 o o o 0 2 o o + 1 2 o o o 2 3 o o o 
Cd2SnSi crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent Cd(2), two equivalent Sn(1), and two equivalent Si(1) atoms. There is one shorter (2.43 Å) and one longer (3.41 Å) Cd(1)-Cd(2) bond length. There is one shorter (2.43 Å) and one longer (3.41 Å) Cd(1)-Sn(1) bond length. There is one shorter (2.61 Å) and one longer (2.88 Å) Cd(1)-Si(1) bond length. In the second Cd site, Cd(2) is bonded in a single-bond geometry to two equivalent Cd(1) and one Si(1) atom. The Cd(2)-Si(1) bond length is 1.09 Å. Sn(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one Si(1) atom. The Sn(1)-Si(1) bond length is 1.09 Å. Si(1) is bonded in a distorted L-shaped geometry to one Cd(2), two equivalent Cd(1), and one Sn(1) atom.