data_SrZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnIr2
_chemical_formula_sum   'Sr1 Zn1 Ir2'
_cell_volume   72.56
_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  0.0  0.0  0.77  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.55  0.55  0.47  1.0
  Ir  Ir1  1  0.55  0.55  0.06  1.0

data_SrZnIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZnIr2
_chemical_formula_sum   'Sr2 Zn2 Ir4'
_cell_volume   145.12
_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
  Sr  Sr0  2  0.0  0.0  0.77  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.05  0.5  0.06  1.0
  Ir  Ir3  2  0.05  0.5  0.47  1.0

Sr Zn Ir Ir
SrIr2Zn crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to four equivalent Ir(1) and one Zn(1) atom. There are a spread of Sr(1)-Ir(1) bond distances ranging from 2.95-3.27 Å. The Sr(1)-Zn(1) bond length is 1.76 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Ir(2), and four equivalent Ir(1) atoms. The Ir(1)-Ir(2) bond length is 3.14 Å. All Ir(1)-Ir(1) bond lengths are 3.10 Å. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to one Ir(1) and four equivalent Zn(1) atoms. There are a spread of Ir(2)-Zn(1) bond distances ranging from 2.01-2.46 Å. Zn(1) is bonded in a 5-coordinate geometry to one Sr(1) and four equivalent Ir(2) atoms.