data_SrTaCdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaCdGa
_chemical_formula_sum   'Sr1 Ta1 Cd1 Ga1'
_cell_volume   97.23
_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  0.47  0.47  0.47  1.0
  Ta  Ta3  1  0.65  0.65  0.65  1.0
  Cd  Cd0  1  0.82  0.82  0.82  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_SrTaCdGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTaCdGa
_chemical_formula_sum   'Sr3 Ta3 Cd3 Ga3'
_cell_volume   291.7
_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  0.53  1.0
  Ta  Ta1  3  0.0  0.0  0.35  1.0
  Cd  Cd2  3  0.0  0.0  0.18  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Sr Ta Cd Ga
Sr Ta Cd Ga 0 1 o o o 1 2 o o o 2 3 + + + 
SrTaCdGa crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 1-coordinate geometry to one Ta(1), three equivalent Cd(1), and three equivalent Ga(1) atoms. The Sr(1)-Ta(1) bond length is 2.21 Å. All Sr(1)-Cd(1) bond lengths are 2.99 Å. All Sr(1)-Ga(1) bond lengths are 3.47 Å. Ta(1) is bonded in a distorted linear geometry to one Sr(1), one Cd(1), and three equivalent Ga(1) atoms. The Ta(1)-Cd(1) bond length is 2.21 Å. All Ta(1)-Ga(1) bond lengths are 2.99 Å. Cd(1) is bonded to three equivalent Sr(1), one Ta(1), and one Ga(1) atom to form corner-sharing CdSr3TaGa trigonal bipyramids. The Cd(1)-Ga(1) bond length is 2.21 Å. Ga(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Ta(1), and one Cd(1) atom.