data_MnGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaIr2
_chemical_formula_sum   'Mn1 Ga1 Ir2'
_cell_volume   56.56
_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  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.34  1.0
  Ir  Ir1  1  0.45  0.45  0.02  1.0
  Ir  Ir2  1  0.45  0.45  0.66  1.0

data_MnGaIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaIr2
_chemical_formula_sum   'Mn2 Ga2 Ir4'
_cell_volume   113.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.34  1.0
  Ir  Ir2  2  0.45  0.0  0.02  1.0
  Ir  Ir3  2  0.45  0.0  0.66  1.0

Mn Ga Ir Ir
Mn Ga Ir Ir 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 o o o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 1 o + o 2 3 o o - 3 3 + o o 3 3 o + o 
MnIr2Ga crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 5-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), and one Ga(1) atom. There are a spread of Mn(1)-Ir(1) bond distances ranging from 1.88-2.25 Å. There are a spread of Mn(1)-Ir(2) bond distances ranging from 2.94-3.19 Å. The Mn(1)-Ga(1) bond length is 2.28 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted square co-planar geometry to four equivalent Mn(1) and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 2.40 Å. In the second Ir site, Ir(2) is bonded in a 13-coordinate geometry to four equivalent Mn(1), one Ir(1), four equivalent Ir(2), and four equivalent Ga(1) atoms. All Ir(2)-Ir(2) bond lengths are 2.91 Å. There are a spread of Ir(2)-Ga(1) bond distances ranging from 2.84-3.10 Å. Ga(1) is bonded in a 1-coordinate geometry to one Mn(1) and four equivalent Ir(2) atoms.