data_TaMn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Ir
_chemical_formula_sum   'Ta1 Mn2 Ir1'
_cell_volume   54.94
_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  Ta3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.86  0.0  0.56  1.0
  Mn  Mn2  1  0.86  0.0  0.06  1.0
  Ir  Ir0  1  0.0  0.0  0.81  1.0

data_TaMn2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaMn2Ir
_chemical_formula_sum   'Ta1 Mn2 Ir1'
_cell_volume   54.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.86  0.0  0.06  1.0
  Mn  Mn2  1  0.86  0.0  0.56  1.0
  Ir  Ir3  1  0.0  0.0  0.81  1.0

Ta Mn Mn Ir
TaMn2Ir crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one TaMn2Ir cluster. Ta(1) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one Ir(1) atom. The Ta(1)-Mn(2) bond length is 0.58 Å. The Ta(1)-Ir(1) bond length is 1.44 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Ir(1) atom. The Mn(1)-Ir(1) bond length is 1.92 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Ta(1) atom. Ir(1) is bonded in a distorted linear geometry to one Ta(1) and one Mn(1) atom.