data_Sr2NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   5.07
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbIr
_chemical_formula_sum   'Sr2 Nb1 Ir1'
_cell_volume   95.5
_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
  Sr  Sr2  1  0.61  0.54  0.51  1.0
  Sr  Sr3  1  0.61  0.54  0.33  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.92  1.0

data_Sr2NbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.07
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbIr
_chemical_formula_sum   'Sr2 Nb1 Ir1'
_cell_volume   95.5
_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
  Sr  Sr0  1  0.61  0.54  0.33  1.0
  Sr  Sr1  1  0.61  0.54  0.51  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.92  1.0

Sr Sr Nb Ir
Sr Sr Nb Ir 0 1 o o o 2 3 o o - 
(Sr)2IrNb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrNb cluster and one Sr cluster. In the IrNb cluster, Nb(1) is bonded in a single-bond geometry to one Ir(1) atom. The Nb(1)-Ir(1) bond length is 0.47 Å. Ir(1) is bonded in a single-bond geometry to one Nb(1) atom. In the Sr cluster, Sr(1,2) is bonded in a 1-coordinate geometry to one Sr(1,2) atom. The Sr(1,2)-Sr(1,2) bond length is 1.04 Å.