data_TiNbGaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbGaRe
_chemical_formula_sum   'Ti1 Nb1 Ga1 Re1'
_cell_volume   64.26
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.18  0.18  0.18  1.0
  Ga  Ga0  1  0.59  0.59  0.59  1.0
  Re  Re2  1  0.77  0.77  0.77  1.0

data_TiNbGaRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiNbGaRe
_chemical_formula_sum   'Ti3 Nb3 Ga3 Re3'
_cell_volume   192.79
_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
  Ti  Ti0  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.82  1.0
  Ga  Ga2  3  0.0  0.0  0.41  1.0
  Re  Re3  3  0.0  0.0  0.23  1.0

Ti Nb Ga Re
Ti Nb Ga Re 0 1 o o o 2 3 o o o 
TiNbReGa crystallizes in the trigonal R3m space group. Ti(1) is bonded in a 2-coordinate geometry to one Nb(1) and four equivalent Re(1) atoms. The Ti(1)-Nb(1) bond length is 1.97 Å. There is one shorter (2.55 Å) and three longer (2.83 Å) Ti(1)-Re(1) bond lengths. Nb(1) is bonded in a 7-coordinate geometry to one Ti(1), three equivalent Re(1), and three equivalent Ga(1) atoms. All Nb(1)-Re(1) bond lengths are 2.73 Å. All Nb(1)-Ga(1) bond lengths are 2.73 Å. Re(1) is bonded in a 11-coordinate geometry to four equivalent Ti(1), three equivalent Nb(1), and four equivalent Ga(1) atoms. There is one shorter (1.97 Å) and three longer (3.10 Å) Re(1)-Ga(1) bond lengths. Ga(1) is bonded in a 1-coordinate geometry to three equivalent Nb(1) and four equivalent Re(1) atoms.