data_Cs3TaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3TaGa
_chemical_formula_sum   'Cs3 Ta1 Ga1'
_cell_volume   328.11
_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
  Cs  Cs0  1  0.0  0.45  0.0  1.0
  Cs  Cs1  1  0.0  0.0  0.45  1.0
  Cs  Cs2  1  0.45  0.0  0.0  1.0
  Ta  Ta4  1  0.45  0.45  0.45  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

data_Cs3TaGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cs3TaGa
_chemical_formula_sum   'Cs9 Ta3 Ga3'
_cell_volume   984.32
_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
  Cs  Cs0  9  0.18  0.37  0.82  1.0
  Ta  Ta1  3  0.0  0.0  0.45  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0

Cs Cs Cs Ta Ga
Cs3TaGa is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 2-coordinate geometry to one Ta(1) and two equivalent Ga(1) atoms. The Cs(1)-Ta(1) bond length is 4.38 Å. There is one shorter (3.09 Å) and one longer (3.80 Å) Cs(1)-Ga(1) bond length. Ta(1) is bonded in a 3-coordinate geometry to three equivalent Cs(1) atoms. Ga(1) is bonded to six equivalent Cs(1) atoms to form corner-sharing GaCs6 octahedra. The corner-sharing octahedra are not tilted.