data_CdInGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGaSn
_chemical_formula_sum   'Cd1 In1 Ga1 Sn1'
_cell_volume   99.14
_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  0.67  0.67  0.67  1.0
  In  In2  1  0.51  0.51  0.51  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.84  0.84  0.84  1.0

data_CdInGaSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdInGaSn
_chemical_formula_sum   'Cd3 In3 Ga3 Sn3'
_cell_volume   297.41
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.33  1.0
  In  In1  3  0.0  0.0  0.49  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.16  1.0

Cd In Ga Sn
Cd In Ga Sn 0 1 o o o 0 3 o o o 2 3 - - - 
CdInGaSn crystallizes in the trigonal R3m space group. Cd(1) is bonded to one In(1), three equivalent Ga(1), and one Sn(1) atom to form distorted CdInGa3Sn trigonal bipyramids that share corners with six equivalent Cd(1)InGa3Sn trigonal bipyramids,  a cornercorner with one Ga(1)Cd3Sn trigonal pyramid, corners with three equivalent In(1)CdSn3 trigonal pyramids, and edges with three equivalent Sn(1)CdIn3Ga trigonal bipyramids. The Cd(1)-In(1) bond length is 2.08 Å. All Cd(1)-Ga(1) bond lengths are 3.00 Å. The Cd(1)-Sn(1) bond length is 2.08 Å. In(1) is bonded to one Cd(1) and three equivalent Sn(1) atoms to form InCdSn3 trigonal pyramids that share  a cornercorner with one Sn(1)CdIn3Ga trigonal bipyramid, corners with three equivalent Cd(1)InGa3Sn trigonal bipyramids, corners with six equivalent In(1)CdSn3 trigonal pyramids, and edges with three equivalent Ga(1)Cd3Sn trigonal pyramids. All In(1)-Sn(1) bond lengths are 3.00 Å. Ga(1) is bonded to three equivalent Cd(1) and one Sn(1) atom to form distorted GaCd3Sn trigonal pyramids that share  a cornercorner with one Cd(1)InGa3Sn trigonal bipyramid, corners with three equivalent Sn(1)CdIn3Ga trigonal bipyramids, corners with six equivalent Ga(1)Cd3Sn trigonal pyramids, and edges with three equivalent In(1)CdSn3 trigonal pyramids. The Ga(1)-Sn(1) bond length is 2.08 Å. Sn(1) is bonded to one Cd(1), three equivalent In(1), and one Ga(1) atom to form distorted SnCdIn3Ga trigonal bipyramids that share corners with six equivalent Sn(1)CdIn3Ga trigonal bipyramids,  a cornercorner with one In(1)CdSn3 trigonal pyramid, corners with three equivalent Ga(1)Cd3Sn trigonal pyramids, and edges with three equivalent Cd(1)InGa3Sn trigonal bipyramids.