data_NbCrReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrReBi
_chemical_formula_sum   'Nb1 Cr1 Re1 Bi1'
_cell_volume   69.16
_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
  Nb  Nb2  1  0.26  0.26  0.26  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.89  0.89  0.89  1.0
  Bi  Bi0  1  0.63  0.63  0.63  1.0

data_NbCrReBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbCrReBi
_chemical_formula_sum   'Nb3 Cr3 Re3 Bi3'
_cell_volume   207.49
_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
  Nb  Nb0  3  0.0  0.0  0.74  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Re  Re2  3  0.0  0.0  0.11  1.0
  Bi  Bi3  3  0.0  0.0  0.37  1.0

Nb Cr Re Bi
Nb Cr Re Bi 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 o - - 1 3 - o - 1 3 - - o 2 3 + o o 2 3 o + o 2 3 o o + 2 3 o o o 
NbCrReBi crystallizes in the trigonal R3m space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), three equivalent Re(1), and three equivalent Bi(1) atoms. There are three shorter (2.79 Å) and one longer (2.91 Å) Nb(1)-Cr(1) bond length. All Nb(1)-Re(1) bond lengths are 2.69 Å. All Nb(1)-Bi(1) bond lengths are 2.69 Å. Cr(1) is bonded in a single-bond geometry to four equivalent Nb(1), one Re(1), and three equivalent Bi(1) atoms. The Cr(1)-Re(1) bond length is 1.28 Å. All Cr(1)-Bi(1) bond lengths are 2.69 Å. Re(1) is bonded in a single-bond geometry to three equivalent Nb(1), one Cr(1), and four equivalent Bi(1) atoms. There are three shorter (2.79 Å) and one longer (2.91 Å) Re(1)-Bi(1) bond length. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Cr(1), and four equivalent Re(1) atoms.