data_Ta2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcIr
_chemical_formula_sum   'Ta2 Tc1 Ir1'
_cell_volume   65.41
_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  0.54  0.29  0.55  1.0
  Ta  Ta2  1  0.54  0.71  0.55  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.08  0.0  0.0  1.0

data_Ta2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   96.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcIr
_chemical_formula_sum   'Ta2 Tc1 Ir1'
_cell_volume   65.41
_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  Ta0  1  0.55  0.54  0.29  1.0
  Ta  Ta1  1  0.55  0.54  0.71  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.08  0.0  1.0

Ta Ta Tc Ir
Ta Ta Tc Ir 0 1 o o o 2 3 o o o 
Ta2TcIr crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Tc(1), and two equivalent Ir(1) atoms. Both Ta(1)-Ta(1) bond lengths are 3.10 Å. There is one shorter (1.96 Å) and one longer (2.65 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.97 Å) and one longer (3.13 Å) Ta(1)-Tc(1) bond length. There is one shorter (2.76 Å) and one longer (2.93 Å) Ta(1)-Ir(1) bond length. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Tc(1), and two equivalent Ir(1) atoms. Both Ta(2)-Ta(2) bond lengths are 3.10 Å. There is one shorter (2.76 Å) and one longer (2.93 Å) Ta(2)-Tc(1) bond length. There is one shorter (2.97 Å) and one longer (3.13 Å) Ta(2)-Ir(1) bond length. Tc(1) is bonded in a single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Ir(1) atom. The Tc(1)-Ir(1) bond length is 0.36 Å. Ir(1) is bonded in a single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Tc(1) atom.