data_Y2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdGa
_chemical_formula_sum   'Y2 Cd1 Ga1'
_cell_volume   164.47
_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
  Y  Y2  1  0.52  0.52  0.52  1.0
  Y  Y3  1  0.35  0.35  0.35  1.0
  Cd  Cd0  1  0.17  0.17  0.17  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_Y2CdGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   15.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2CdGa
_chemical_formula_sum   'Y6 Cd3 Ga3'
_cell_volume   493.4
_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
  Y  Y0  3  0.0  0.0  0.48  1.0
  Y  Y1  3  0.0  0.0  0.65  1.0
  Cd  Cd2  3  0.0  0.0  0.83  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Y Y Cd Ga
Y Y Cd Ga 0 1 o o o 1 2 o o o 2 3 o o o 
Y2CdGa crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Y(2) and three equivalent Cd(1) atoms to form YYCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Y4Ga trigonal bipyramid, corners with three equivalent Y(2)YCdGa3 trigonal bipyramids, corners with six equivalent Y(1)YCd3 trigonal pyramids, and edges with three equivalent Ga(1)Y3Cd trigonal pyramids. The Y(1)-Y(2) bond length is 2.63 Å. All Y(1)-Cd(1) bond lengths are 3.56 Å. In the second Y site, Y(2) is bonded to one Y(1), one Cd(1), and three equivalent Ga(1) atoms to form distorted YYCdGa3 trigonal bipyramids that share corners with six equivalent Y(2)YCdGa3 trigonal bipyramids,  a cornercorner with one Ga(1)Y3Cd trigonal pyramid, corners with three equivalent Y(1)YCd3 trigonal pyramids, and edges with three equivalent Cd(1)Y4Ga trigonal bipyramids. The Y(2)-Cd(1) bond length is 2.63 Å. All Y(2)-Ga(1) bond lengths are 3.56 Å. Cd(1) is bonded to one Y(2), three equivalent Y(1), and one Ga(1) atom to form distorted CdY4Ga trigonal bipyramids that share corners with six equivalent Cd(1)Y4Ga trigonal bipyramids,  a cornercorner with one Y(1)YCd3 trigonal pyramid, corners with three equivalent Ga(1)Y3Cd trigonal pyramids, and edges with three equivalent Y(2)YCdGa3 trigonal bipyramids. The Cd(1)-Ga(1) bond length is 2.63 Å. Ga(1) is bonded to three equivalent Y(2) and one Cd(1) atom to form GaY3Cd trigonal pyramids that share  a cornercorner with one Y(2)YCdGa3 trigonal bipyramid, corners with three equivalent Cd(1)Y4Ga trigonal bipyramids, corners with six equivalent Ga(1)Y3Cd trigonal pyramids, and edges with three equivalent Y(1)YCd3 trigonal pyramids.