data_NbInTcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInTcBi
_chemical_formula_sum   'Nb1 In1 Tc1 Bi1'
_cell_volume   82.2
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.73  0.73  0.73  1.0
  Tc  Tc3  1  0.18  0.18  0.18  1.0
  Bi  Bi0  1  0.45  0.45  0.45  1.0

data_NbInTcBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_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   NbInTcBi
_chemical_formula_sum   'Nb3 In3 Tc3 Bi3'
_cell_volume   246.59
_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  0.0  1.0
  In  In1  3  0.0  0.0  0.27  1.0
  Tc  Tc2  3  0.0  0.0  0.82  1.0
  Bi  Bi3  3  0.0  0.0  0.55  1.0

Nb In Tc Bi
Nb In Tc Bi 0 2 o o o 0 1 o - - 0 1 - o - 0 1 - - o 0 1 - - - 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 - o o 
NbTcInBi crystallizes in the trigonal R3m space group. Nb(1) is bonded in a distorted single-bond geometry to one Tc(1), four equivalent In(1), and three equivalent Bi(1) atoms. The Nb(1)-Tc(1) bond length is 2.11 Å. There are three shorter (2.90 Å) and one longer (3.28 Å) Nb(1)-In(1) bond length. All Nb(1)-Bi(1) bond lengths are 3.15 Å. Tc(1) is bonded in a distorted single-bond geometry to one Nb(1), three equivalent In(1), and four equivalent Bi(1) atoms. All Tc(1)-In(1) bond lengths are 3.15 Å. There are three shorter (2.90 Å) and one longer (3.28 Å) Tc(1)-Bi(1) bond length. In(1) is bonded in a 11-coordinate geometry to four equivalent Nb(1), three equivalent Tc(1), and four equivalent Bi(1) atoms. There are three shorter (2.90 Å) and one longer (3.28 Å) In(1)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to three equivalent Nb(1), four equivalent Tc(1), and four equivalent In(1) atoms.