data_Ta2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   2.91
_cell_angle_alpha   90.93
_cell_angle_beta   90.93
_cell_angle_gamma   102.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   61.39
_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  Ta2  1  0.41  0.18  0.45  1.0
  Ta  Ta3  1  0.41  0.82  0.45  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.9  0.0  0.0  1.0

data_Ta2FeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   102.83
_cell_angle_beta   90.93
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeIr
_chemical_formula_sum   'Ta2 Fe1 Ir1'
_cell_volume   61.39
_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  0.45  0.41  0.18  1.0
  Ta  Ta1  1  0.45  0.41  0.82  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.9  0.0  1.0

Ta Ta Fe Ir
Ta2FeIr crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and two equivalent Fe(1) atoms. There is one shorter (1.69 Å) and one longer (2.96 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.30 Å) and one longer (2.52 Å) Ta(1)-Fe(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 Fe(1), and two equivalent Ir(1) atoms. Both Ta(2)-Ta(2) bond lengths are 2.91 Å. There is one shorter (2.61 Å) and one longer (2.77 Å) Ta(2)-Fe(1) bond length. There is one shorter (2.63 Å) and one longer (2.72 Å) Ta(2)-Ir(1) bond length. Fe(1) is bonded in a single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Ir(1) atom. The Fe(1)-Ir(1) bond length is 0.46 Å. Ir(1) is bonded in a single-bond geometry to two equivalent Ta(2) and one Fe(1) atom.