data_BaAlCrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCrGa
_chemical_formula_sum   'Ba1 Al1 Cr1 Ga1'
_cell_volume   91.55
_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
  Ba  Ba1  1  0.37  0.37  0.37  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.79  0.79  0.79  1.0
  Ga  Ga3  1  0.58  0.58  0.58  1.0

data_BaAlCrGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaAlCrGa
_chemical_formula_sum   'Ba3 Al3 Cr3 Ga3'
_cell_volume   274.64
_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
  Ba  Ba0  3  0.0  0.0  0.63  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Cr  Cr2  3  0.0  0.0  0.21  1.0
  Ga  Ga3  3  0.0  0.0  0.42  1.0

Ba Al Cr Ga
Ba Al Cr Ga 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 2 - - - 1 2 - - o 1 2 o - - 1 2 - o - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
BaCrGaAl crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent Cr(1), four equivalent Ga(1), and three equivalent Al(1) atoms. All Ba(1)-Cr(1) bond lengths are 3.12 Å. There is one shorter (2.62 Å) and three longer (3.29 Å) Ba(1)-Ga(1) bond lengths. All Ba(1)-Al(1) bond lengths are 2.95 Å. Cr(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ga(1), and one Al(1) atom. The Cr(1)-Ga(1) bond length is 2.62 Å. The Cr(1)-Al(1) bond length is 2.62 Å. Ga(1) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Cr(1) atom. Al(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Cr(1) atom.