data_NbIn3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn3Tc
_chemical_formula_sum   'Nb1 In3 Tc1'
_cell_volume   133.3
_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  Nb0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.55  0.0  0.55  1.0
  In  In3  1  0.55  0.55  0.0  1.0
  In  In4  1  0.0  0.55  0.55  1.0
  Tc  Tc1  1  0.55  0.55  0.55  1.0

data_NbIn3Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbIn3Tc
_chemical_formula_sum   'Nb3 In9 Tc3'
_cell_volume   399.9
_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  9  0.18  0.37  0.37  1.0
  Tc  Tc2  3  0.0  0.0  0.55  1.0

Nb In In In Tc
Nb In In In Tc 0 4 - - - 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 1 4 o - o 2 4 o o - 3 4 - o o 
NbTcIn3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Nb(1) is bonded in a distorted q6 geometry to nine equivalent In(1) atoms. There are three shorter (3.22 Å) and six longer (3.63 Å) Nb(1)-In(1) bond lengths. Tc(1) is bonded to six equivalent In(1) atoms to form corner-sharing TcIn6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.28 Å) and three longer (2.83 Å) Tc(1)-In(1) bond lengths. In(1) is bonded in a 1-coordinate geometry to three equivalent Nb(1) and two equivalent Tc(1) atoms.