data_BaNbGaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbGaRe
_chemical_formula_sum   'Ba1 Nb1 Ga1 Re1'
_cell_volume   86.6
_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  Ba0  1  0.76  0.76  0.76  1.0
  Nb  Nb2  1  0.27  0.27  0.27  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.51  0.51  0.51  1.0

data_BaNbGaRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaNbGaRe
_chemical_formula_sum   'Ba3 Nb3 Ga3 Re3'
_cell_volume   259.8
_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  0.24  1.0
  Nb  Nb1  3  0.0  0.0  0.73  1.0
  Ga  Ga2  3  0.0  0.0  -0.0  1.0
  Re  Re3  3  0.0  0.0  0.49  1.0

Ba Nb Ga Re
BaNbReGa crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(1), four equivalent Re(1), and four equivalent Ga(1) atoms. There are three shorter (3.43 Å) and three longer (3.59 Å) Ba(1)-Nb(1) bond lengths. There is one shorter (2.97 Å) and three longer (3.07 Å) Ba(1)-Re(1) bond lengths. There is one shorter (2.97 Å) and three longer (3.07 Å) Ba(1)-Ga(1) bond lengths. Nb(1) is bonded in a 14-coordinate geometry to six equivalent Ba(1), four equivalent Re(1), and four equivalent Ga(1) atoms. There is one shorter (2.97 Å) and three longer (3.07 Å) Nb(1)-Re(1) bond lengths. There are three shorter (2.98 Å) and one longer (3.25 Å) Nb(1)-Ga(1) bond length. Re(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Nb(1) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Nb(1) atoms.