data_BaMn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   122.74
_cell_angle_beta   122.74
_cell_angle_gamma   85.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Ir
_chemical_formula_sum   'Ba1 Mn2 Ir1'
_cell_volume   81.63
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.37  0.82  1.0
  Mn  Mn3  1  0.37  0.0  0.82  1.0
  Ir  Ir1  1  0.0  0.0  0.64  1.0

data_BaMn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   132.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Ir
_chemical_formula_sum   'Ba2 Mn4 Ir2'
_cell_volume   163.27
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  4  0.32  0.32  0.45  1.0
  Ir  Ir2  2  0.0  0.0  0.64  1.0

Ba Mn Mn Ir
BaMn2Ir is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMn2Ir clusters. Ba(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Ba(1)-Ir(1) bond length is 1.80 Å. Mn(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Mn(1)-Ir(1) bond length is 1.54 Å. Ir(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Mn(1) atoms.