data_MnZn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   131.76
_cell_angle_beta   131.76
_cell_angle_gamma   70.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Ir
_chemical_formula_sum   'Mn1 Zn2 Ir1'
_cell_volume   56.24
_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  Mn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.92  0.0  0.91  1.0
  Zn  Zn3  1  0.0  0.92  0.91  1.0
  Ir  Ir0  1  0.0  0.0  0.83  1.0

data_MnZn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   125.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZn2Ir
_chemical_formula_sum   'Mn2 Zn4 Ir2'
_cell_volume   112.49
_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
  Zn  Zn1  4  0.04  0.04  0.0  1.0
  Ir  Ir2  2  0.17  0.0  0.17  1.0

Mn Zn Zn Ir
MnIrZn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnIrZn2 clusters. Mn(1) is bonded in an L-shaped geometry to two equivalent Zn(1) atoms. Both Mn(1)-Zn(1) bond lengths are 0.33 Å. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Zn(1) atoms. Both Ir(1)-Zn(1) bond lengths are 0.73 Å. Zn(1) is bonded in a distorted L-shaped geometry to one Mn(1) and one Ir(1) atom.