data_SrCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36
_cell_length_b   9.36
_cell_length_c   9.36
_cell_angle_alpha   17.88
_cell_angle_beta   17.88
_cell_angle_gamma   17.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuIr2
_chemical_formula_sum   'Sr1 Cu1 Ir2'
_cell_volume   67.57
_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  Sr3  1  0.0  0.0  0.82  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.43  1.0
  Ir  Ir2  1  0.0  0.0  0.21  1.0

data_SrCuIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCuIr2
_chemical_formula_sum   'Sr2 Cu2 Ir4'
_cell_volume   135.13
_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  0.18  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.57  1.0
  Ir  Ir3  2  0.0  0.0  0.79  1.0

Sr Cu Ir Ir
Sr Cu Ir Ir 0 1 o o + 1 3 o o o 2 3 o o o 
SrIr2Cu crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a single-bond geometry to one Ir(1) and one Cu(1) atom. The Sr(1)-Ir(1) bond length is 3.66 Å. The Sr(1)-Cu(1) bond length is 1.72 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to one Sr(1), one Ir(2), and six equivalent Ir(1) atoms. The Ir(1)-Ir(2) bond length is 2.05 Å. All Ir(1)-Ir(1) bond lengths are 2.91 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Ir(1) and one Cu(1) atom. The Ir(2)-Cu(1) bond length is 1.94 Å. Cu(1) is bonded in a distorted linear geometry to one Sr(1) and one Ir(2) atom.