data_SrCdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCdAs
_chemical_formula_sum   'Sr1 Cd1 As1'
_cell_volume   92.48
_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
  Sr  Sr2  1  0.38  0.38  0.38  1.0
  Cd  Cd1  1  0.79  0.79  0.79  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_SrCdAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCdAs
_chemical_formula_sum   'Sr3 Cd3 As3'
_cell_volume   277.44
_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
  Sr  Sr0  3  0.0  0.0  0.62  1.0
  Cd  Cd1  3  0.0  0.0  0.21  1.0
  As  As2  3  0.0  0.0  0.0  1.0

Sr Cd As
SrCdAs is half-Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cd(1) and three equivalent As(1) atoms. All Sr(1)-Cd(1) bond lengths are 3.08 Å. All Sr(1)-As(1) bond lengths are 3.00 Å. Cd(1) is bonded to three equivalent Sr(1) and one As(1) atom to form distorted CdSr3As tetrahedra that share corners with three equivalent As(1)Sr3Cd tetrahedra, corners with six equivalent Cd(1)Sr3As tetrahedra, and edges with three equivalent As(1)Sr3Cd tetrahedra. The Cd(1)-As(1) bond length is 2.55 Å. As(1) is bonded to three equivalent Sr(1) and one Cd(1) atom to form distorted AsSr3Cd tetrahedra that share corners with three equivalent Cd(1)Sr3As tetrahedra, corners with six equivalent As(1)Sr3Cd tetrahedra, and edges with three equivalent Cd(1)Sr3As tetrahedra.