The structure described by Ca3CoRhO6 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(15), one O(2), one O(20), one O(23), one O(5), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(16), one O(19), one O(24), and one O(6) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(15), one O(17), one O(19), one O(21), one O(3), and one O(8) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(2), one O(20), one O(22), one O(4), and one O(7) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(17), one O(21), one O(24), one O(3), one O(6), and one O(7) atom. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(14), one O(18), one O(22), one O(23), one O(4), one O(5), one O(8), and one O(9) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(13), one O(15), one O(20), one O(23), one O(3), one O(5), one O(7), and one O(9) atom. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(19), one O(24), one O(4), one O(6), and one O(8) atom. In the ninth Ca site, Ca(9) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(15), one O(18), one O(19), one O(22), one O(5), and one O(9) atom. In the tenth Ca site, Ca(10) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(16), one O(17), one O(2), one O(20), one O(21), and one O(6) atom. In the eleventh Ca site, Ca(11) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(17), one O(21), one O(23), one O(3), and one O(8) atom. In the twelfth Ca site, Ca(12) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(18), one O(2), one O(22), one O(24), one O(4), and one O(7) atom. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in an octahedral geometry to one O(1), one O(13), one O(15), one O(17), one O(3), and one O(5) atom. In the second Rh site, Rh(2) is bonded to one O(14), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. In the third Rh site, Rh(3) is bonded in an octahedral geometry to one O(10), one O(12), one O(19), one O(22), one O(24), and one O(7) atom. In the fourth Rh site, Rh(4) is bonded to one O(11), one O(20), one O(21), one O(23), one O(8), and one O(9) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(20), one O(21), one O(23), one O(4), and one O(6) atom to form distorted CoO6 pentagonal pyramids that share  a faceface with one Rh(2)O6 octahedra and  a faceface with one Rh(4)O6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(16), one O(18), one O(8), and one O(9) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(22), one O(24), one O(3), and one O(5) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(17), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(11), one Ca(2), one Ca(3), one Ca(9), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Ca(1), one Ca(10), one Ca(12), one Ca(4), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the third O site, O(3) is bonded to one Ca(11), one Ca(3), one Ca(5), one Ca(7), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(8), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(6), one Ca(7), one Ca(9), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the sixth O site, O(6) is bonded to one Ca(10), one Ca(2), one Ca(5), one Ca(8), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the seventh O site, O(7) is bonded to one Ca(12), one Ca(4), one Ca(5), one Ca(7), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eighth O site, O(8) is bonded to one Ca(11), one Ca(3), one Ca(6), one Ca(8), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(6), one Ca(7), one Ca(9), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the tenth O site, O(10) is bonded to one Ca(10), one Ca(2), one Ca(5), one Ca(8), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(10), one Ca(11), one Ca(3), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the twelfth O site, O(12) is bonded to one Ca(12), one Ca(2), one Ca(4), one Ca(9), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(12), one Ca(5), one Ca(7), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourteenth O site, O(14) is bonded to one Ca(11), one Ca(2), one Ca(6), one Ca(8), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifteenth O site, O(15) is bonded to one Ca(1), one Ca(3), one Ca(7), one Ca(9), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the sixteenth O site, O(16) is bonded to one Ca(10), one Ca(2), one Ca(4), one Ca(8), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the seventeenth O site, O(17) is bonded to one Ca(10), one Ca(11), one Ca(3), one Ca(5), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eighteenth O site, O(18) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(9), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the nineteenth O site, O(19) is bonded to one Ca(2), one Ca(3), one Ca(8), one Ca(9), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the twentieth O site, O(20) is bonded to one Ca(1), one Ca(10), one Ca(4), one Ca(7), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the twenty-first O site, O(21) is bonded to one Ca(10), one Ca(11), one Ca(3), one Ca(5), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the twenty-second O site, O(22) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(9), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the twenty-third O site, O(23) is bonded to one Ca(1), one Ca(11), one Ca(6), one Ca(7), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the twenty-fourth O site, O(24) is bonded to one Ca(12), one Ca(2), one Ca(5), one Ca(8), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3CoRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.495
_cell_length_c   6.458
_cell_angle_alpha   91.695
_cell_angle_beta   91.811
_cell_angle_gamma   91.898
_symmetry_Int_Tables_number   1
_cell_volume   269.312
_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
  Ca  Ca0  1  0.115  0.387  0.747  1.0
  Ca  Ca1  1  0.752  0.113  0.386  1.0
  Ca  Ca2  1  0.384  0.751  0.115  1.0
  Ca  Ca3  1  0.249  0.887  0.615  1.0
  Ca  Ca4  1  0.617  0.251  0.884  1.0
  Ca  Ca5  1  0.885  0.613  0.251  1.0
  Co  Co6  1  0.747  0.751  0.753  1.0
  Co  Co7  1  0.255  0.252  0.242  1.0
  O  O8  1  0.795  0.451  0.589  1.0
  O  O9  1  0.591  0.797  0.460  1.0
  O  O10  1  0.458  0.591  0.799  1.0
  O  O11  1  0.088  0.953  0.296  1.0
  O  O12  1  0.299  0.088  0.955  1.0
  O  O13  1  0.962  0.297  0.094  1.0
  O  O14  1  0.203  0.550  0.414  1.0
  O  O15  1  0.407  0.203  0.539  1.0
  O  O16  1  0.540  0.408  0.201  1.0
  O  O17  1  0.912  0.046  0.705  1.0
  O  O18  1  0.703  0.910  0.046  1.0
  O  O19  1  0.039  0.702  0.908  1.0
  Rh  Rh20  1  0.499  0.500  0.500  1.0
  Rh  Rh21  1  0.000  0.999  0.001  1.0
[/CIF]
.
The structure described by Ca3CoRhO6 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(15), one O(2), one O(20), one O(23), one O(5), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(16), one O(19), one O(24), and one O(6) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(15), one O(17), one O(19), one O(21), one O(3), and one O(8) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(2), one O(20), one O(22), one O(4), and one O(7) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(17), one O(21), one O(24), one O(3), one O(6), and one O(7) atom. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(14), one O(18), one O(22), one O(23), one O(4), one O(5), one O(8), and one O(9) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(13), one O(15), one O(20), one O(23), one O(3), one O(5), one O(7), and one O(9) atom. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(19), one O(24), one O(4), one O(6), and one O(8) atom. In the ninth Ca site, Ca(9) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(15), one O(18), one O(19), one O(22), one O(5), and one O(9) atom. In the tenth Ca site, Ca(10) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(16), one O(17), one O(2), one O(20), one O(21), and one O(6) atom. In the eleventh Ca site, Ca(11) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(17), one O(21), one O(23), one O(3), and one O(8) atom. In the twelfth Ca site, Ca(12) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(18), one O(2), one O(22), one O(24), one O(4), and one O(7) atom. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in an octahedral geometry to one O(1), one O(13), one O(15), one O(17), one O(3), and one O(5) atom. In the second Rh site, Rh(2) is bonded to one O(14), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. In the third Rh site, Rh(3) is bonded in an octahedral geometry to one O(10), one O(12), one O(19), one O(22), one O(24), and one O(7) atom. In the fourth Rh site, Rh(4) is bonded to one O(11), one O(20), one O(21), one O(23), one O(8), and one O(9) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(20), one O(21), one O(23), one O(4), and one O(6) atom to form distorted CoO6 pentagonal pyramids that share  a faceface with one Rh(2)O6 octahedra and  a faceface with one Rh(4)O6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(16), one O(18), one O(8), and one O(9) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(22), one O(24), one O(3), and one O(5) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(17), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(11), one Ca(2), one Ca(3), one Ca(9), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Ca(1), one Ca(10), one Ca(12), one Ca(4), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the third O site, O(3) is bonded to one Ca(11), one Ca(3), one Ca(5), one Ca(7), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(8), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(6), one Ca(7), one Ca(9), one Rh(1), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the sixth O site, O(6) is bonded to one Ca(10), one Ca(2), one Ca(5), one Ca(8), one Rh(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the seventh O site, O(7) is bonded to one Ca(12), one Ca(4), one Ca(5), one Ca(7), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eighth O site, O(8) is bonded to one Ca(11), one Ca(3), one Ca(6), one Ca(8), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(6), one Ca(7), one Ca(9), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the tenth O site, O(10) is bonded to one Ca(10), one Ca(2), one Ca(5), one Ca(8), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(10), one Ca(11), one Ca(3), one Rh(4), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the twelfth O site, O(12) is bonded to one Ca(12), one Ca(2), one Ca(4), one Ca(9), one Rh(3), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(12), one Ca(5), one Ca(7), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourteenth O site, O(14) is bonded to one Ca(11), one Ca(2), one Ca(6), one Ca(8), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifteenth O site, O(15) is bonded to one Ca(1), one Ca(3), one Ca(7), one Ca(9), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the sixteenth O site, O(16) is bonded to one Ca(10), one Ca(2), one Ca(4), one Ca(8), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the seventeenth O site, O(17) is bonded to one Ca(10), one Ca(11), one Ca(3), one Ca(5), one Rh(1), and one Co(4) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eighteenth O site, O(18) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(9), one Rh(2), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the nineteenth O site, O(19) is bonded to one Ca(2), one Ca(3), one Ca(8), one Ca(9), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the twentieth O site, O(20) is bonded to one Ca(1), one Ca(10), one Ca(4), one Ca(7), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the twenty-first O site, O(21) is bonded to one Ca(10), one Ca(11), one Ca(3), one Ca(5), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the twenty-second O site, O(22) is bonded to one Ca(12), one Ca(4), one Ca(6), one Ca(9), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the twenty-third O site, O(23) is bonded to one Ca(1), one Ca(11), one Ca(6), one Ca(7), one Rh(4), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the twenty-fourth O site, O(24) is bonded to one Ca(12), one Ca(2), one Ca(5), one Ca(8), one Rh(3), and one Co(3) atom to form a mixture of distorted corner, edge, and face-sharing OCa4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3CoRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.495
_cell_length_c   6.458
_cell_angle_alpha   91.695
_cell_angle_beta   91.811
_cell_angle_gamma   91.898
_symmetry_Int_Tables_number   1
_cell_volume   269.312
_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
  Ca  Ca0  1  0.115  0.387  0.747  1.0
  Ca  Ca1  1  0.752  0.113  0.386  1.0
  Ca  Ca2  1  0.384  0.751  0.115  1.0
  Ca  Ca3  1  0.249  0.887  0.615  1.0
  Ca  Ca4  1  0.617  0.251  0.884  1.0
  Ca  Ca5  1  0.885  0.613  0.251  1.0
  Co  Co6  1  0.747  0.751  0.753  1.0
  Co  Co7  1  0.255  0.252  0.242  1.0
  O  O8  1  0.795  0.451  0.589  1.0
  O  O9  1  0.591  0.797  0.460  1.0
  O  O10  1  0.458  0.591  0.799  1.0
  O  O11  1  0.088  0.953  0.296  1.0
  O  O12  1  0.299  0.088  0.955  1.0
  O  O13  1  0.962  0.297  0.094  1.0
  O  O14  1  0.203  0.550  0.414  1.0
  O  O15  1  0.407  0.203  0.539  1.0
  O  O16  1  0.540  0.408  0.201  1.0
  O  O17  1  0.912  0.046  0.705  1.0
  O  O18  1  0.703  0.910  0.046  1.0
  O  O19  1  0.039  0.702  0.908  1.0
  Rh  Rh20  1  0.499  0.500  0.500  1.0
  Rh  Rh21  1  0.000  0.999  0.001  1.0
[/CIF]
.