data_Mn2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.36
_cell_angle_alpha   100.57
_cell_angle_beta   100.57
_cell_angle_gamma   34.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaIr
_chemical_formula_sum   'Mn2 Ga1 Ir1'
_cell_volume   51.03
_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  Mn2  1  0.53  0.0  0.2  1.0
  Mn  Mn3  1  0.44  0.0  0.07  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.98  0.0  0.14  1.0

data_Mn2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.36
_cell_length_c   4.61
_cell_angle_alpha   100.57
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaIr
_chemical_formula_sum   'Mn2 Ga1 Ir1'
_cell_volume   51.03
_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  0.0  0.07  0.44  1.0
  Mn  Mn1  1  0.0  0.2  0.53  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.14  0.98  1.0

Mn Mn Ga Ir
Mn2IrGa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mn2IrGa cluster. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to one Mn(2) and one Ir(1) atom. The Mn(1)-Mn(2) bond length is 0.64 Å. The Mn(1)-Ir(1) bond length is 2.17 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) atom. Ir(1) is bonded in a single-bond geometry to one Mn(1) and one Ga(1) atom. The Ir(1)-Ga(1) bond length is 0.62 Å. Ga(1) is bonded in a single-bond geometry to one Ir(1) atom.