data_Sr2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   47.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SbIr
_chemical_formula_sum   'Sr2 Sb1 Ir1'
_cell_volume   123.73
_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  0.34  0.0  0.75  1.0
  Sr  Sr3  1  0.0  0.0  0.95  1.0
  Sb  Sb1  1  0.0  0.0  0.27  1.0
  Ir  Ir0  1  0.34  0.0  0.49  1.0

data_Sr2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.83
_cell_length_c   5.99
_cell_angle_alpha   113.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SbIr
_chemical_formula_sum   'Sr2 Sb1 Ir1'
_cell_volume   123.73
_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  0.0  0.95  0.95  1.0
  Sr  Sr1  1  0.66  0.75  0.75  1.0
  Sb  Sb2  1  0.0  0.27  0.27  1.0
  Ir  Ir3  1  0.66  0.49  0.49  1.0

Sr Sr Sb Ir
Sr Sr Sb Ir 0 3 o o o 0 1 o o o 1 2 o o + 2 3 o o o 
Sr2IrSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2IrSb cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Ir(1) atom. The Sr(1)-Ir(1) bond length is 1.59 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Sr(2)-Sb(1) bond length is 1.94 Å. Ir(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Sb(1) atom. The Ir(1)-Sb(1) bond length is 2.03 Å. Sb(1) is bonded in a 2-coordinate geometry to one Sr(2) and one Ir(1) atom.