The compound described by Ca5Cu2(IrO6)2 crystallizes in the triclinic P1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in an octahedral geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ir(2), and one Cu(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(3), one Ca(5), one Ir(1), and one Cu(1) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(6)Ca4CuIr octahedra, corners with two equivalent O(3)Ca4CuIr octahedra,  a cornercorner with one O(7)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids, corners with three equivalent O(9)Ca4Ir square pyramids, corners with two equivalent O(4)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(7)Ca3CuIr square pyramid,  a faceface with one O(6)Ca4CuIr octahedra,  a faceface with one O(12)Ca4Ir square pyramid, and  a faceface with one O(8)Ca3CuIr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-68°. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Ir(2), and one Cu(2) atom to form distorted OCa4CuIr octahedra that share  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(7)Ca3CuIr square pyramid,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with three equivalent O(12)Ca4Ir square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(6)Ca4CuIr octahedra,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(5)Ca3CuIr square pyramid,  a faceface with one O(7)Ca3CuIr square pyramid,  a faceface with one O(9)Ca4Ir square pyramid, and  a faceface with one O(4)Ca3CuIr trigonal bipyramid. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(4), one Ca(5), one Ir(1), and one Cu(2) atom to form distorted OCa3CuIr trigonal bipyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(6)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(9)Ca4Ir square pyramids,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(5)Ca3CuIr square pyramid,  an edgeedge with one O(7)Ca3CuIr square pyramid,  an edgeedge with one O(12)Ca4Ir square pyramid,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(3)Ca4CuIr octahedra, and  a faceface with one O(6)Ca4CuIr octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(4), one Ca(5), one Ir(2), and one Cu(1) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra, corners with four equivalent O(6)Ca4CuIr octahedra,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(7)Ca3CuIr square pyramids, corners with two equivalent O(12)Ca4Ir square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(9)Ca4Ir square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid, and  a faceface with one O(3)Ca4CuIr octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Ir(1), and one Cu(1) atom to form distorted OCa4CuIr octahedra that share  a cornercorner with one O(2)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(7)Ca3CuIr square pyramids, corners with four equivalent O(5)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(3)Ca4CuIr octahedra,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(2)Ca3CuIr square pyramid,  a faceface with one O(12)Ca4Ir square pyramid,  a faceface with one O(9)Ca4Ir square pyramid, and  a faceface with one O(4)Ca3CuIr trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one Ca(5), one Ir(2), and one Cu(2) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra, corners with two equivalent O(6)Ca4CuIr octahedra,  a cornercorner with one O(2)Ca3CuIr square pyramid,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids, corners with three equivalent O(8)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(2)Ca3CuIr square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid,  a faceface with one O(3)Ca4CuIr octahedra,  a faceface with one O(12)Ca4Ir square pyramid, and  a faceface with one O(9)Ca4Ir square pyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(3), one Ca(4), one Ir(1), and one Cu(2) atom to form distorted OCa3CuIr trigonal bipyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(6)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(9)Ca4Ir square pyramids, corners with three equivalent O(7)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(3)Ca4CuIr octahedra,  an edgeedge with one O(6)Ca4CuIr octahedra,  an edgeedge with one O(12)Ca4Ir square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid, and  a faceface with one O(2)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles range from 5-12°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one Ir(2) atom to form distorted OCa4Ir square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(7)Ca3CuIr square pyramid, corners with three equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(4)Ca3CuIr trigonal bipyramids, corners with two equivalent O(8)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(5)Ca3CuIr square pyramid, edges with two equivalent O(12)Ca4Ir square pyramids,  a faceface with one O(3)Ca4CuIr octahedra,  a faceface with one O(6)Ca4CuIr octahedra, and  a faceface with one O(7)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles are 68°. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(4), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(4), and one Ir(2) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one Ir(1) atom to form distorted OCa4Ir square pyramids that share  a cornercorner with one O(6)Ca4CuIr octahedra, corners with three equivalent O(3)Ca4CuIr octahedra,  a cornercorner with one O(2)Ca3CuIr square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(9)Ca4Ir square pyramids,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(6)Ca4CuIr octahedra,  a faceface with one O(2)Ca3CuIr square pyramid, and  a faceface with one O(7)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles range from 31-55°. is represented by the CIF card [CIF]
data_Ca5Cu2(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.548
_cell_length_c   6.569
_cell_angle_alpha   90.759
_cell_angle_beta   91.882
_cell_angle_gamma   91.111
_symmetry_Int_Tables_number   1
_cell_volume   280.966
_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
  Ca  Ca0  1  0.412  0.244  0.601  1.0
  Ca  Ca1  1  0.603  0.759  0.405  1.0
  Ca  Ca2  1  0.256  0.379  0.105  1.0
  Ca  Ca3  1  0.747  0.616  0.888  1.0
  Ca  Ca4  1  0.106  0.884  0.264  1.0
  Cu  Cu5  1  0.186  0.761  0.807  1.0
  Cu  Cu6  1  0.812  0.247  0.181  1.0
  Ir  Ir7  1  0.504  0.998  0.998  1.0
  Ir  Ir8  1  0.998  0.491  0.502  1.0
  O  O9  1  0.104  0.469  0.791  1.0
  O  O10  1  0.218  0.045  0.909  1.0
  O  O11  1  0.904  0.545  0.209  1.0
  O  O12  1  0.787  0.949  0.114  1.0
  O  O13  1  0.968  0.781  0.594  1.0
  O  O14  1  0.403  0.709  0.034  1.0
  O  O15  1  0.036  0.212  0.385  1.0
  O  O16  1  0.585  0.296  0.972  1.0
  O  O17  1  0.285  0.560  0.424  1.0
  O  O18  1  0.563  0.925  0.717  1.0
  O  O19  1  0.708  0.449  0.569  1.0
  O  O20  1  0.425  0.063  0.287  1.0
[/CIF]
.
The compound described by Ca5Cu2(IrO6)2 crystallizes in the triclinic P1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in an octahedral geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ir(2), and one Cu(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(3), one Ca(5), one Ir(1), and one Cu(1) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(6)Ca4CuIr octahedra, corners with two equivalent O(3)Ca4CuIr octahedra,  a cornercorner with one O(7)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids, corners with three equivalent O(9)Ca4Ir square pyramids, corners with two equivalent O(4)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(7)Ca3CuIr square pyramid,  a faceface with one O(6)Ca4CuIr octahedra,  a faceface with one O(12)Ca4Ir square pyramid, and  a faceface with one O(8)Ca3CuIr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-68°. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Ir(2), and one Cu(2) atom to form distorted OCa4CuIr octahedra that share  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(7)Ca3CuIr square pyramid,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with three equivalent O(12)Ca4Ir square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(6)Ca4CuIr octahedra,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(5)Ca3CuIr square pyramid,  a faceface with one O(7)Ca3CuIr square pyramid,  a faceface with one O(9)Ca4Ir square pyramid, and  a faceface with one O(4)Ca3CuIr trigonal bipyramid. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(4), one Ca(5), one Ir(1), and one Cu(2) atom to form distorted OCa3CuIr trigonal bipyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(6)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(9)Ca4Ir square pyramids,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(5)Ca3CuIr square pyramid,  an edgeedge with one O(7)Ca3CuIr square pyramid,  an edgeedge with one O(12)Ca4Ir square pyramid,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(3)Ca4CuIr octahedra, and  a faceface with one O(6)Ca4CuIr octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(4), one Ca(5), one Ir(2), and one Cu(1) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra, corners with four equivalent O(6)Ca4CuIr octahedra,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(7)Ca3CuIr square pyramids, corners with two equivalent O(12)Ca4Ir square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(9)Ca4Ir square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid, and  a faceface with one O(3)Ca4CuIr octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Ir(1), and one Cu(1) atom to form distorted OCa4CuIr octahedra that share  a cornercorner with one O(2)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(7)Ca3CuIr square pyramids, corners with four equivalent O(5)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(3)Ca4CuIr octahedra,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(2)Ca3CuIr square pyramid,  a faceface with one O(12)Ca4Ir square pyramid,  a faceface with one O(9)Ca4Ir square pyramid, and  a faceface with one O(4)Ca3CuIr trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one Ca(5), one Ir(2), and one Cu(2) atom to form distorted OCa3CuIr square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra, corners with two equivalent O(6)Ca4CuIr octahedra,  a cornercorner with one O(2)Ca3CuIr square pyramid,  a cornercorner with one O(9)Ca4Ir square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids, corners with three equivalent O(8)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(2)Ca3CuIr square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid,  a faceface with one O(3)Ca4CuIr octahedra,  a faceface with one O(12)Ca4Ir square pyramid, and  a faceface with one O(9)Ca4Ir square pyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(3), one Ca(4), one Ir(1), and one Cu(2) atom to form distorted OCa3CuIr trigonal bipyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(6)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(12)Ca4Ir square pyramid, corners with two equivalent O(9)Ca4Ir square pyramids, corners with three equivalent O(7)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(3)Ca4CuIr octahedra,  an edgeedge with one O(6)Ca4CuIr octahedra,  an edgeedge with one O(12)Ca4Ir square pyramid,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid, and  a faceface with one O(2)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles range from 5-12°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one Ir(2) atom to form distorted OCa4Ir square pyramids that share  a cornercorner with one O(3)Ca4CuIr octahedra,  a cornercorner with one O(5)Ca3CuIr square pyramid,  a cornercorner with one O(7)Ca3CuIr square pyramid, corners with three equivalent O(2)Ca3CuIr square pyramids, corners with two equivalent O(4)Ca3CuIr trigonal bipyramids, corners with two equivalent O(8)Ca3CuIr trigonal bipyramids,  an edgeedge with one O(5)Ca3CuIr square pyramid, edges with two equivalent O(12)Ca4Ir square pyramids,  a faceface with one O(3)Ca4CuIr octahedra,  a faceface with one O(6)Ca4CuIr octahedra, and  a faceface with one O(7)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles are 68°. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(4), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Ca(4), and one Ir(2) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(5), and one Ir(1) atom to form distorted OCa4Ir square pyramids that share  a cornercorner with one O(6)Ca4CuIr octahedra, corners with three equivalent O(3)Ca4CuIr octahedra,  a cornercorner with one O(2)Ca3CuIr square pyramid, corners with two equivalent O(5)Ca3CuIr square pyramids,  a cornercorner with one O(4)Ca3CuIr trigonal bipyramid,  a cornercorner with one O(8)Ca3CuIr trigonal bipyramid, edges with two equivalent O(9)Ca4Ir square pyramids,  an edgeedge with one O(4)Ca3CuIr trigonal bipyramid,  an edgeedge with one O(8)Ca3CuIr trigonal bipyramid,  a faceface with one O(6)Ca4CuIr octahedra,  a faceface with one O(2)Ca3CuIr square pyramid, and  a faceface with one O(7)Ca3CuIr square pyramid. The corner-sharing octahedral tilt angles range from 31-55°. is represented by the CIF card [CIF]
data_Ca5Cu2(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.548
_cell_length_c   6.569
_cell_angle_alpha   90.759
_cell_angle_beta   91.882
_cell_angle_gamma   91.111
_symmetry_Int_Tables_number   1
_cell_volume   280.966
_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
  Ca  Ca0  1  0.412  0.244  0.601  1.0
  Ca  Ca1  1  0.603  0.759  0.405  1.0
  Ca  Ca2  1  0.256  0.379  0.105  1.0
  Ca  Ca3  1  0.747  0.616  0.888  1.0
  Ca  Ca4  1  0.106  0.884  0.264  1.0
  Cu  Cu5  1  0.186  0.761  0.807  1.0
  Cu  Cu6  1  0.812  0.247  0.181  1.0
  Ir  Ir7  1  0.504  0.998  0.998  1.0
  Ir  Ir8  1  0.998  0.491  0.502  1.0
  O  O9  1  0.104  0.469  0.791  1.0
  O  O10  1  0.218  0.045  0.909  1.0
  O  O11  1  0.904  0.545  0.209  1.0
  O  O12  1  0.787  0.949  0.114  1.0
  O  O13  1  0.968  0.781  0.594  1.0
  O  O14  1  0.403  0.709  0.034  1.0
  O  O15  1  0.036  0.212  0.385  1.0
  O  O16  1  0.585  0.296  0.972  1.0
  O  O17  1  0.285  0.560  0.424  1.0
  O  O18  1  0.563  0.925  0.717  1.0
  O  O19  1  0.708  0.449  0.569  1.0
  O  O20  1  0.425  0.063  0.287  1.0
[/CIF]
.