data_Ta2TcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcBi
_chemical_formula_sum   'Ta2 Tc1 Bi1'
_cell_volume   74.61
_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
  Ta  Ta1  1  0.01  0.01  0.01  1.0
  Ta  Ta2  1  0.34  0.34  0.34  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.67  0.67  0.67  1.0

data_Ta2TcBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta2TcBi
_chemical_formula_sum   'Ta6 Tc3 Bi3'
_cell_volume   223.83
_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
  Ta  Ta0  3  0.0  0.0  0.66  1.0
  Ta  Ta1  3  0.0  0.0  0.99  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.33  1.0

Ta Ta Tc Bi
Ta Ta Tc Bi 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
Ta2TcBi crystallizes in the trigonal R3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Tc(1) and three equivalent Bi(1) atoms. The Ta(1)-Tc(1) bond length is 0.14 Å. All Ta(1)-Bi(1) bond lengths are 2.73 Å. In the second Ta site, Ta(2) is bonded in a distorted trigonal planar geometry to four equivalent Bi(1) atoms. There are three shorter (2.73 Å) and one longer (3.81 Å) Ta(2)-Bi(1) bond length. Tc(1) is bonded in a single-bond geometry to one Ta(1) and three equivalent Bi(1) atoms. All Tc(1)-Bi(1) bond lengths are 2.73 Å. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Ta(1), four equivalent Ta(2), and three equivalent Tc(1) atoms.