data_Zr2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbIr
_chemical_formula_sum   'Zr2 Sb1 Ir1'
_cell_volume   78.84
_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
  Zr  Zr2  1  0.0  0.15  0.13  1.0
  Zr  Zr3  1  0.15  0.0  0.13  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.15  0.15  0.0  1.0

data_Zr2SbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2SbIr
_chemical_formula_sum   'Zr4 Sb2 Ir2'
_cell_volume   157.68
_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
  Zr  Zr0  4  0.08  0.08  0.13  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.15  0.0  0.0  1.0

Zr Zr Sb Ir
Zr Zr Sb Ir 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
Zr2IrSb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zr2IrSb clusters. Zr(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Sb(1) atom. The Zr(1)-Ir(1) bond length is 0.85 Å. The Zr(1)-Sb(1) bond length is 0.85 Å. Ir(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Sb(1) atom. The Ir(1)-Sb(1) bond length is 0.92 Å. Sb(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Ir(1) atom.