data_NaFeTcBi
_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   NaFeTcBi
_chemical_formula_sum   'Na1 Fe1 Tc1 Bi1'
_cell_volume   69.11
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.63  0.63  0.63  1.0
  Tc  Tc3  1  0.26  0.26  0.26  1.0
  Bi  Bi0  1  0.89  0.89  0.89  1.0

data_NaFeTcBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaFeTcBi
_chemical_formula_sum   'Na3 Fe3 Tc3 Bi3'
_cell_volume   207.34
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.37  1.0
  Tc  Tc2  3  0.0  0.0  0.74  1.0
  Bi  Bi3  3  0.0  0.0  0.11  1.0

Na Fe Tc Bi
Na Fe Tc Bi 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o o 0 2 o o - 0 2 o - o 0 2 - o 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 - 1 3 o o o 2 3 - - o 2 3 - o - 2 3 o - - 
NaTcFeBi crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to four equivalent Tc(1), three equivalent Fe(1), and one Bi(1) atom. There are three shorter (2.79 Å) and one longer (2.90 Å) Na(1)-Tc(1) bond length. All Na(1)-Fe(1) bond lengths are 2.69 Å. The Na(1)-Bi(1) bond length is 1.29 Å. Tc(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Fe(1), and three equivalent Bi(1) atoms. All Tc(1)-Fe(1) bond lengths are 2.69 Å. All Tc(1)-Bi(1) bond lengths are 2.69 Å. Fe(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), three equivalent Tc(1), and four equivalent Bi(1) atoms. There are three shorter (2.79 Å) and one longer (2.90 Å) Fe(1)-Bi(1) bond length. Bi(1) is bonded in a single-bond geometry to one Na(1), three equivalent Tc(1), and four equivalent Fe(1) atoms.