data_MnFeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   30.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeIr2
_chemical_formula_sum   'Mn1 Fe1 Ir2'
_cell_volume   51.25
_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
  Mn  Mn3  1  0.0  0.0  0.79  1.0
  Fe  Fe0  1  0.99  0.0  0.05  1.0
  Ir  Ir1  1  0.0  0.0  0.89  1.0
  Ir  Ir2  1  0.99  0.0  0.64  1.0

data_MnFeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.97
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeIr2
_chemical_formula_sum   'Mn1 Fe1 Ir2'
_cell_volume   51.25
_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
  Mn  Mn0  1  0.21  0.0  0.21  1.0
  Fe  Fe1  1  0.95  0.99  0.95  1.0
  Ir  Ir2  1  0.11  0.0  0.11  1.0
  Ir  Ir3  1  0.36  0.99  0.36  1.0

Mn Fe Ir Ir
Mn Fe Ir Ir 0 2 o o o 0 3 - o o 1 2 + o - 
MnFeIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnFeIr2 cluster. Mn(1) is bonded in a linear geometry to one Ir(1) and one Ir(2) atom. The Mn(1)-Ir(1) bond length is 0.50 Å. The Mn(1)-Ir(2) bond length is 0.79 Å. Fe(1) is bonded in a single-bond geometry to one Ir(1) atom. The Fe(1)-Ir(1) bond length is 0.79 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a linear geometry to one Mn(1) and one Fe(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Mn(1) atom.