data_BaNi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   41.45
_cell_angle_beta   41.45
_cell_angle_gamma   41.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Ir
_chemical_formula_sum   'Ba1 Ni2 Ir1'
_cell_volume   82.7
_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
  Ni  Ni2  1  0.0  0.0  0.23  1.0
  Ni  Ni3  1  0.0  0.0  0.01  1.0
  Ir  Ir1  1  0.0  0.0  0.12  1.0

data_BaNi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   4.2
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNi2Ir
_chemical_formula_sum   'Ba2 Ni4 Ir2'
_cell_volume   165.4
_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
  Ni  Ni1  2  -0.0  0.0  0.01  1.0
  Ni  Ni2  2  -0.0  0.0  0.23  1.0
  Ir  Ir3  2  -0.0  0.0  0.12  1.0

Ba Ni Ni Ir
BaIrNi2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaIrNi2 clusters. Ba(1) is bonded in a single-bond geometry to one Ni(2) atom. The Ba(1)-Ni(2) bond length is 0.08 Å. Ir(1) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom. The Ir(1)-Ni(1) bond length is 0.65 Å. The Ir(1)-Ni(2) bond length is 0.65 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to one Ba(1) and one Ir(1) atom.