data_Co4TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4TcSb
_chemical_formula_sum   'Co4 Tc1 Sb1'
_cell_volume   78.58
_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
  Co  Co0  1  0.25  0.25  0.55  1.0
  Co  Co1  1  0.25  0.55  0.25  1.0
  Co  Co2  1  0.55  0.25  0.25  1.0
  Co  Co3  1  0.55  0.55  0.55  1.0
  Tc  Tc5  1  0.0  0.0  0.0  1.0
  Sb  Sb4  1  0.1  0.1  0.1  1.0

data_Co4TcSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co4TcSb
_chemical_formula_sum   'Co12 Tc3 Sb3'
_cell_volume   235.75
_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
  Co  Co0  9  0.1  0.2  0.65  1.0
  Co  Co1  3  0.0  0.0  0.45  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Sb  Sb3  3  0.0  0.0  0.9  1.0

Co Co Co Co Tc Sb
Co Co Co Co Tc Sb 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 3 o o o 2 3 o o - 2 3 o - o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o + + 3 4 + o + 3 4 + + o 4 5 o o o 
TcCo4Sb crystallizes in the trigonal R3m space group. Tc(1) is bonded in a single-bond geometry to three equivalent Co(1), three equivalent Co(2), and one Sb(1) atom. All Tc(1)-Co(1) bond lengths are 1.96 Å. All Tc(1)-Co(2) bond lengths are 3.11 Å. The Tc(1)-Sb(1) bond length is 1.17 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Tc(1), two equivalent Co(1), three equivalent Co(2), and one Sb(1) atom. Both Co(1)-Co(1) bond lengths are 1.43 Å. There is one shorter (2.48 Å) and two longer (2.94 Å) Co(1)-Co(2) bond lengths. The Co(1)-Sb(1) bond length is 2.18 Å. In the second Co site, Co(2) is bonded in a 15-coordinate geometry to three equivalent Tc(1), nine equivalent Co(1), and three equivalent Sb(1) atoms. All Co(2)-Sb(1) bond lengths are 3.09 Å. Sb(1) is bonded in a single-bond geometry to one Tc(1), three equivalent Co(1), and three equivalent Co(2) atoms.