data_SrCo6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo6Ir
_chemical_formula_sum   'Sr4 Co24 Ir4'
_cell_volume   475.76
_cell_formula_units_Z   4
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  Sr28  1  0.31  0.26  0.0  1.0
  Sr  Sr29  1  0.31  0.74  0.0  1.0
  Sr  Sr30  1  0.0  0.0  0.88  1.0
  Sr  Sr31  1  0.0  0.0  0.3  1.0
  Co  Co0  1  0.31  0.73  0.95  1.0
  Co  Co1  1  0.55  0.23  0.47  1.0
  Co  Co2  1  0.07  0.77  0.47  1.0
  Co  Co3  1  0.31  0.27  0.95  1.0
  Co  Co4  1  0.07  0.23  0.47  1.0
  Co  Co5  1  0.55  0.77  0.47  1.0
  Co  Co6  1  0.0  0.0  0.09  1.0
  Co  Co7  1  0.95  0.35  0.33  1.0
  Co  Co8  1  0.95  0.65  0.33  1.0
  Co  Co9  1  0.31  0.73  0.23  1.0
  Co  Co10  1  0.67  0.65  0.84  1.0
  Co  Co11  1  0.95  0.35  0.84  1.0
  Co  Co12  1  0.31  0.27  0.23  1.0
  Co  Co13  1  0.95  0.65  0.84  1.0
  Co  Co14  1  0.67  0.35  0.84  1.0
  Co  Co15  1  0.0  0.0  0.0  1.0
  Co  Co16  1  0.07  0.77  0.71  1.0
  Co  Co17  1  0.07  0.23  0.71  1.0
  Co  Co18  1  0.31  0.0  0.09  1.0
  Co  Co19  1  0.67  0.35  0.33  1.0
  Co  Co20  1  0.67  0.65  0.33  1.0
  Co  Co21  1  0.31  0.0  0.0  1.0
  Co  Co22  1  0.55  0.77  0.71  1.0
  Co  Co23  1  0.55  0.23  0.71  1.0
  Ir  Ir24  1  0.31  0.41  0.09  1.0
  Ir  Ir25  1  0.31  0.59  0.09  1.0
  Ir  Ir26  1  0.31  0.0  0.66  1.0
  Ir  Ir27  1  0.31  0.0  0.52  1.0

data_SrCo6Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.62
_cell_length_b   6.77
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo6Ir
_chemical_formula_sum   'Sr4 Co24 Ir4'
_cell_volume   475.76
_cell_formula_units_Z   4
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  0.0  0.3  1.0
  Sr  Sr1  1  0.0  0.0  0.88  1.0
  Sr  Sr2  1  0.26  0.57  -0.0  1.0
  Sr  Sr3  1  0.74  0.05  -0.0  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.0  0.09  1.0
  Co  Co6  1  0.0  0.31  0.0  1.0
  Co  Co7  1  0.0  0.31  0.09  1.0
  Co  Co8  1  0.23  0.3  0.47  1.0
  Co  Co9  1  0.23  0.3  0.71  1.0
  Co  Co10  1  0.23  0.77  0.47  1.0
  Co  Co11  1  0.23  0.77  0.71  1.0
  Co  Co12  1  0.27  0.58  0.23  1.0
  Co  Co13  1  0.27  0.58  0.95  1.0
  Co  Co14  1  0.35  0.03  0.33  1.0
  Co  Co15  1  0.35  0.03  0.84  1.0
  Co  Co16  1  0.35  0.3  0.33  1.0
  Co  Co17  1  0.35  0.3  0.84  1.0
  Co  Co18  1  0.65  0.32  0.33  1.0
  Co  Co19  1  0.65  0.32  0.84  1.0
  Co  Co20  1  0.65  0.59  0.33  1.0
  Co  Co21  1  0.65  0.59  0.84  1.0
  Co  Co22  1  0.73  0.04  0.23  1.0
  Co  Co23  1  0.73  0.04  0.95  1.0
  Co  Co24  1  0.77  0.32  0.47  1.0
  Co  Co25  1  0.77  0.32  0.71  1.0
  Co  Co26  1  0.77  0.84  0.47  1.0
  Co  Co27  1  0.77  0.84  0.71  1.0
  Ir  Ir28  1  0.0  0.31  0.52  1.0
  Ir  Ir29  1  0.0  0.31  0.66  1.0
  Ir  Ir30  1  0.41  0.72  0.09  1.0
  Ir  Ir31  1  0.59  0.9  0.09  1.0

Sr Sr Sr Sr Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Ir Ir Ir Ir
SrIrCo6 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Ir(1), one Co(22), and one Co(4) atom. The Sr(1)-Ir(1) bond length is 1.50 Å. The Sr(1)-Co(22) bond length is 1.75 Å. The Sr(1)-Co(4) bond length is 0.61 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Ir(2), one Co(1), and one Co(22) atom. The Sr(2)-Ir(2) bond length is 1.50 Å. The Sr(2)-Co(1) bond length is 0.61 Å. The Sr(2)-Co(22) bond length is 1.75 Å. In the third Sr site, Sr(3) is bonded in a distorted single-bond geometry to one Co(11), one Co(12), one Co(14), one Co(16), and one Co(18) atom. The Sr(3)-Co(11) bond length is 2.30 Å. The Sr(3)-Co(12) bond length is 2.63 Å. The Sr(3)-Co(14) bond length is 2.26 Å. The Sr(3)-Co(16) bond length is 1.48 Å. The Sr(3)-Co(18) bond length is 2.49 Å. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one Co(13), one Co(21), one Co(3), one Co(5), one Co(7), one Co(8), and one Co(9) atom. The Sr(4)-Co(13) bond length is 2.11 Å. The Sr(4)-Co(21) bond length is 2.30 Å. The Sr(4)-Co(3) bond length is 2.78 Å. The Sr(4)-Co(5) bond length is 2.49 Å. The Sr(4)-Co(7) bond length is 2.58 Å. The Sr(4)-Co(8) bond length is 2.63 Å. The Sr(4)-Co(9) bond length is 2.26 Å. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Sr(1), one Ir(2), and one Co(13) atom. The Ir(1)-Ir(2) bond length is 1.19 Å. The Ir(1)-Co(13) bond length is 1.96 Å. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to one Sr(2), one Ir(1), and one Co(10) atom. The Ir(2)-Co(10) bond length is 1.96 Å. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Co(17), one Co(23), and one Co(24) atom. The Ir(3)-Co(17) bond length is 1.63 Å. The Ir(3)-Co(23) bond length is 2.79 Å. The Ir(3)-Co(24) bond length is 1.63 Å. In the fourth Ir site, Ir(4) is bonded in a 2-coordinate geometry to one Co(2), one Co(3), and one Co(6) atom. The Ir(4)-Co(2) bond length is 1.63 Å. The Ir(4)-Co(3) bond length is 1.63 Å. The Ir(4)-Co(6) bond length is 2.79 Å. There are twenty-four inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Sr(2) and one Co(14) atom. The Co(1)-Co(14) bond length is 2.56 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Ir(4) and one Co(20) atom. The Co(2)-Co(20) bond length is 1.88 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one Sr(4), one Ir(4), and one Co(9) atom. The Co(3)-Co(9) bond length is 1.88 Å. In the fourth Co site, Co(4) is bonded in a single-bond geometry to one Sr(1) and one Co(15) atom. The Co(4)-Co(15) bond length is 2.56 Å. In the fifth Co site, Co(5) is bonded in a 1-coordinate geometry to one Sr(4) and one Co(8) atom. The Co(5)-Co(8) bond length is 2.25 Å. In the sixth Co site, Co(6) is bonded in a 3-coordinate geometry to one Ir(4), one Co(21), and one Co(23) atom. The Co(6)-Co(21) bond length is 2.25 Å. The Co(6)-Co(23) bond length is 2.85 Å. In the seventh Co site, Co(7) is bonded in a 2-coordinate geometry to one Sr(4) and one Co(16) atom. The Co(7)-Co(16) bond length is 1.09 Å. In the eighth Co site, Co(8) is bonded in a 4-coordinate geometry to one Sr(4), one Co(20), one Co(5), and one Co(9) atom. The Co(8)-Co(20) bond length is 1.85 Å. The Co(8)-Co(9) bond length is 1.98 Å. In the ninth Co site, Co(9) is bonded in a 6-coordinate geometry to one Sr(4), one Co(10), one Co(20), one Co(21), one Co(3), and one Co(8) atom. The Co(9)-Co(10) bond length is 2.56 Å. The Co(9)-Co(20) bond length is 1.88 Å. The Co(9)-Co(21) bond length is 1.85 Å. In the tenth Co site, Co(10) is bonded in a single-bond geometry to one Ir(2) and one Co(9) atom. In the eleventh Co site, Co(11) is bonded in a 4-coordinate geometry to one Sr(3), one Co(14), one Co(15), and one Co(23) atom. The Co(11)-Co(14) bond length is 1.85 Å. The Co(11)-Co(15) bond length is 1.98 Å. The Co(11)-Co(23) bond length is 2.25 Å. In the twelfth Co site, Co(12) is bonded in a 4-coordinate geometry to one Sr(3), one Co(14), one Co(15), and one Co(18) atom. The Co(12)-Co(14) bond length is 1.98 Å. The Co(12)-Co(15) bond length is 1.85 Å. The Co(12)-Co(18) bond length is 2.25 Å. In the thirteenth Co site, Co(13) is bonded in a distorted bent 120 degrees geometry to one Sr(4), one Ir(1), and one Co(20) atom. The Co(13)-Co(20) bond length is 2.56 Å. In the fourteenth Co site, Co(14) is bonded in a 6-coordinate geometry to one Sr(3), one Co(1), one Co(11), one Co(12), one Co(15), and one Co(17) atom. The Co(14)-Co(15) bond length is 1.88 Å. The Co(14)-Co(17) bond length is 1.88 Å. In the fifteenth Co site, Co(15) is bonded in a 5-coordinate geometry to one Co(11), one Co(12), one Co(14), one Co(24), and one Co(4) atom. The Co(15)-Co(24) bond length is 1.88 Å. In the sixteenth Co site, Co(16) is bonded in a distorted single-bond geometry to one Sr(3) and one Co(7) atom. In the seventeenth Co site, Co(17) is bonded in a distorted single-bond geometry to one Ir(3) and one Co(14) atom. In the eighteenth Co site, Co(18) is bonded in a 1-coordinate geometry to one Sr(3) and one Co(12) atom. In the nineteenth Co site, Co(19) is bonded in a 1-coordinate geometry to one Co(22) atom. The Co(19)-Co(22) bond length is 1.09 Å. In the twentieth Co site, Co(20) is bonded in a 5-coordinate geometry to one Co(13), one Co(2), one Co(21), one Co(8), and one Co(9) atom. The Co(20)-Co(21) bond length is 1.98 Å. In the twenty-first Co site, Co(21) is bonded in a 4-coordinate geometry to one Sr(4), one Co(20), one Co(6), and one Co(9) atom. In the twenty-second Co site, Co(22) is bonded in a T-shaped geometry to one Sr(1), one Sr(2), and one Co(19) atom. In the twenty-third Co site, Co(23) is bonded in a 3-coordinate geometry to one Ir(3), one Co(11), and one Co(6) atom. In the twenty-fourth Co site, Co(24) is bonded in a distorted single-bond geometry to one Ir(3) and one Co(15) atom.