data_Cr3Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ir5
_chemical_formula_sum   'Cr6 Ir10'
_cell_volume   227.02
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.47  0.65  0.24  1.0
  Cr  Cr1  1  0.89  0.65  0.71  1.0
  Cr  Cr2  1  0.07  0.0  0.24  1.0
  Cr  Cr3  1  0.53  0.65  0.71  1.0
  Cr  Cr4  1  0.21  0.0  0.71  1.0
  Cr  Cr5  1  0.11  0.65  0.24  1.0
  Ir  Ir6  1  0.21  0.36  0.71  1.0
  Ir  Ir7  1  0.15  0.94  0.24  1.0
  Ir  Ir8  1  0.57  0.0  0.71  1.0
  Ir  Ir9  1  0.79  0.36  0.24  1.0
  Ir  Ir10  1  0.0  0.2  0.48  1.0
  Ir  Ir11  1  0.0  0.2  0.0  1.0
  Ir  Ir12  1  0.64  0.1  0.48  1.0
  Ir  Ir13  1  0.64  0.1  0.0  1.0
  Ir  Ir14  1  0.71  0.0  0.24  1.0
  Ir  Ir15  1  0.85  0.94  0.71  1.0

data_Cr3Ir5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ir5
_chemical_formula_sum   'Cr6 Ir10'
_cell_volume   227.02
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.24  0.07  0.0  1.0
  Cr  Cr1  1  0.24  0.11  0.65  1.0
  Cr  Cr2  1  0.24  0.47  0.65  1.0
  Cr  Cr3  1  0.71  0.21  0.0  1.0
  Cr  Cr4  1  0.71  0.53  0.65  1.0
  Cr  Cr5  1  0.71  0.89  0.65  1.0
  Ir  Ir6  1  -0.0  -0.0  0.2  1.0
  Ir  Ir7  1  -0.0  0.64  0.1  1.0
  Ir  Ir8  1  0.24  0.15  0.94  1.0
  Ir  Ir9  1  0.24  0.71  0.0  1.0
  Ir  Ir10  1  0.24  0.79  0.36  1.0
  Ir  Ir11  1  0.48  -0.0  0.2  1.0
  Ir  Ir12  1  0.48  0.64  0.1  1.0
  Ir  Ir13  1  0.71  0.21  0.36  1.0
  Ir  Ir14  1  0.71  0.57  0.0  1.0
  Ir  Ir15  1  0.71  0.85  0.94  1.0

Cr Cr Cr Cr Cr Cr Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir
Cr3Ir5 crystallizes in the triclinic P1 space group. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Ir(9) atom. The Cr(1)-Ir(9) bond length is 2.23 Å. In the second Cr site, Cr(2) is bonded in a 1-coordinate geometry to one Ir(10) atom. The Cr(2)-Ir(10) bond length is 2.31 Å. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Ir(2), one Ir(5), and one Ir(6) atom. The Cr(3)-Ir(2) bond length is 0.89 Å. The Cr(3)-Ir(5) bond length is 2.11 Å. The Cr(3)-Ir(6) bond length is 2.11 Å. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(10), and one Ir(3) atom. The Cr(4)-Ir(1) bond length is 2.23 Å. The Cr(4)-Ir(10) bond length is 2.22 Å. The Cr(4)-Ir(3) bond length is 2.38 Å. In the fifth Cr site, Cr(5) is bonded in a 5-coordinate geometry to one Ir(1), one Ir(10), one Ir(3), and two equivalent Ir(2) atoms. The Cr(5)-Ir(1) bond length is 2.62 Å. The Cr(5)-Ir(10) bond length is 2.42 Å. The Cr(5)-Ir(3) bond length is 2.62 Å. There is one shorter (2.39 Å) and one longer (2.64 Å) Cr(5)-Ir(2) bond length. In the sixth Cr site, Cr(6) is bonded in a distorted bent 120 degrees geometry to one Ir(2) and one Ir(4) atom. The Cr(6)-Ir(2) bond length is 2.01 Å. The Cr(6)-Ir(4) bond length is 2.22 Å. There are ten inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to one Cr(4), one Cr(5), one Ir(5), and one Ir(6) atom. The Ir(1)-Ir(5) bond length is 1.83 Å. The Ir(1)-Ir(6) bond length is 2.00 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Cr(3), one Cr(6), and two equivalent Cr(5) atoms. In the third Ir site, Ir(3) is bonded in a 5-coordinate geometry to one Cr(4), one Cr(5), one Ir(10), one Ir(7), and one Ir(8) atom. The Ir(3)-Ir(10) bond length is 2.29 Å. The Ir(3)-Ir(7) bond length is 1.34 Å. The Ir(3)-Ir(8) bond length is 1.56 Å. In the fourth Ir site, Ir(4) is bonded in a distorted single-bond geometry to one Cr(6) atom. In the fifth Ir site, Ir(5) is bonded in a 3-coordinate geometry to one Cr(3), one Ir(1), and one Ir(10) atom. The Ir(5)-Ir(10) bond length is 2.02 Å. In the sixth Ir site, Ir(6) is bonded in a 1-coordinate geometry to one Cr(3) and one Ir(1) atom. In the seventh Ir site, Ir(7) is bonded in a 2-coordinate geometry to one Ir(3) and one Ir(9) atom. The Ir(7)-Ir(9) bond length is 1.59 Å. In the eighth Ir site, Ir(8) is bonded in a 2-coordinate geometry to one Ir(3) and one Ir(9) atom. The Ir(8)-Ir(9) bond length is 1.59 Å. In the ninth Ir site, Ir(9) is bonded in a 3-coordinate geometry to one Cr(1), one Ir(7), and one Ir(8) atom. In the tenth Ir site, Ir(10) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(4), one Cr(5), one Ir(3), and one Ir(5) atom.