data_TaTcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcRu
_chemical_formula_sum   'Ta1 Tc1 Ru1'
_cell_volume   54.56
_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  0.51  0.51  0.51  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.52  0.52  0.52  1.0

data_TaTcRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaTcRu
_chemical_formula_sum   'Ta3 Tc3 Ru3'
_cell_volume   163.68
_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  0.49  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.48  1.0

Ta Tc Ru
Ta Tc Ru 0 2 o o o 0 1 + + o 0 1 + o + 0 1 + o o 0 1 o + + 0 1 o + o 0 1 o o + 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 
TaTcRu crystallizes in the trigonal R3m space group. Ta(1) is bonded in a single-bond geometry to three equivalent Tc(1) and one Ru(1) atom. All Ta(1)-Tc(1) bond lengths are 3.04 Å. The Ta(1)-Ru(1) bond length is 0.11 Å. Tc(1) is bonded to three equivalent Ta(1) and three equivalent Ru(1) atoms to form edge-sharing TcTa3Ru3 octahedra. All Tc(1)-Ru(1) bond lengths are 2.92 Å. Ru(1) is bonded in a single-bond geometry to one Ta(1) and three equivalent Tc(1) atoms.