data_Cd2GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaSn
_chemical_formula_sum   'Cd2 Ga1 Sn1'
_cell_volume   92.05
_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  0.98  1.0
  Cd  Cd1  1  0.23  0.0  0.64  1.0
  Ga  Ga2  1  0.0  0.0  0.54  1.0
  Sn  Sn3  1  0.23  0.0  0.34  1.0

data_Cd2GaSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2GaSn
_chemical_formula_sum   'Cd2 Ga1 Sn1'
_cell_volume   92.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.98  1.0
  Cd  Cd1  1  0.23  0.0  0.64  1.0
  Ga  Ga2  1  0.0  0.0  0.54  1.0
  Sn  Sn3  1  0.23  0.0  0.34  1.0

Cd Cd Ga Sn
Cd2GaSn crystallizes in the monoclinic Pm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Cd(2), four equivalent Cd(1), and one Sn(1) atom to form a mixture of corner and edge-sharing CdCd5Sn octahedra. The corner-sharing octahedra are not tilted. The Cd(1)-Cd(2) bond length is 3.21 Å. All Cd(1)-Cd(1) bond lengths are 3.20 Å. The Cd(1)-Sn(1) bond length is 3.28 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Ga(1) atom. The Cd(2)-Ga(1) bond length is 1.14 Å. Ga(1) is bonded in a 1-coordinate geometry to one Cd(2) and one Sn(1) atom. The Ga(1)-Sn(1) bond length is 1.98 Å. Sn(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Ga(1) atom.