The structure described by CaTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. There are four inequivalent Tb sites. In the first Tb site, Tb(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(5), one O(6), and one O(8) atom. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(3), and one O(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom. In the second Al site, Al(2) is bonded in an octahedral geometry to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), one Tb(2), one Fe(2), and one Al(2) atom to form distorted OTb2AlFe trigonal pyramids that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(3)CaTb2AlFe square pyramids, corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(6)Tb2AlFe tetrahedra,  a cornercorner with one O(7)CaTb3Al trigonal bipyramid, and  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Fe(1), and one Al(1) atom to form OTb2AlFe tetrahedra that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(4)CaTb2AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid, and  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid. In the third O site, O(3) is bonded to one Ca(1), one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom to form OCaTb2AlFe square pyramids that share  a cornercorner with one O(4)CaTb2AlFe trigonal bipyramid,  a cornercorner with one O(7)CaTb3Al trigonal bipyramid,  a cornercorner with one O(8)Tb3AlFe trigonal bipyramid, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(6)Tb2AlFe tetrahedra,  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid, and  a faceface with one O(12)CaTb2AlFe square pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Tb(3), one Tb(4), one Fe(1), and one Al(1) atom to form distorted OCaTb2AlFe trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(2)Tb2AlFe tetrahedra,  a cornercorner with one O(8)Tb3AlFe trigonal bipyramid, corners with two equivalent O(7)CaTb3Al trigonal bipyramids,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(6)Tb2AlFe tetrahedra,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid, and  a faceface with one O(12)CaTb2AlFe square pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Tb(1), one Tb(2), one Fe(1), and one Al(2) atom. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(3), one Fe(2), and one Al(1) atom to form distorted OTb2AlFe tetrahedra that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(7)CaTb3Al trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(3)CaTb2AlFe square pyramid, and  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Tb(2), one Tb(3), one Tb(4), and one Al(1) atom to form distorted OCaTb3Al trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(4)CaTb2AlFe trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids,  a cornercorner with one O(1)Tb2AlFe trigonal pyramid,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(2)Tb2AlFe tetrahedra, and  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid. In the eighth O site, O(8) is bonded to one Tb(1), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom to form OTb3AlFe trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra,  a cornercorner with one O(4)CaTb2AlFe trigonal bipyramid, corners with two equivalent O(7)CaTb3Al trigonal bipyramids,  an edgeedge with one O(12)CaTb2AlFe square pyramid,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(2)Tb2AlFe tetrahedra,  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid, and  an edgeedge with one O(1)Tb2AlFe trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Tb(2), one Tb(3), one Tb(4), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(2), and one Al(1) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Tb(1), one Tb(3), one Fe(1), and one Al(2) atom to form distorted OCaTb2AlFe square pyramids that share corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(7)CaTb3Al trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid,  a faceface with one O(3)CaTb2AlFe square pyramid, and  a faceface with one O(4)CaTb2AlFe trigonal bipyramid. is represented by the CIF card [CIF]
data_CaTb4Al2(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.036
_cell_length_c   7.375
_cell_angle_alpha   89.320
_cell_angle_beta   91.311
_cell_angle_gamma   96.875
_symmetry_Int_Tables_number   1
_cell_volume   254.545
_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  0.890  0.206  0.845  1.0
  Tb  Tb1  1  0.486  0.568  0.251  1.0
  Tb  Tb2  1  0.049  0.061  0.254  1.0
  Tb  Tb3  1  0.461  0.421  0.750  1.0
  Tb  Tb4  1  0.155  0.872  0.699  1.0
  Al  Al5  1  0.971  0.487  0.489  1.0
  Al  Al6  1  0.487  0.994  0.014  1.0
  Fe  Fe7  1  0.962  0.604  0.035  1.0
  Fe  Fe8  1  0.611  0.010  0.479  1.0
  O  O9  1  0.405  0.947  0.259  1.0
  O  O10  1  0.088  0.442  0.252  1.0
  O  O11  1  0.542  0.041  0.747  1.0
  O  O12  1  0.888  0.560  0.749  1.0
  O  O13  1  0.774  0.880  0.057  1.0
  O  O14  1  0.664  0.348  0.460  1.0
  O  O15  1  0.096  0.210  0.572  1.0
  O  O16  1  0.321  0.691  0.952  1.0
  O  O17  1  0.216  0.124  0.960  1.0
  O  O18  1  0.303  0.632  0.539  1.0
  O  O19  1  0.867  0.783  0.433  1.0
  O  O20  1  0.639  0.334  0.041  1.0
[/CIF]
.
The structure described by CaTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. There are four inequivalent Tb sites. In the first Tb site, Tb(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(5), one O(6), and one O(8) atom. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(3), and one O(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom. In the second Al site, Al(2) is bonded in an octahedral geometry to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), one Tb(2), one Fe(2), and one Al(2) atom to form distorted OTb2AlFe trigonal pyramids that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(3)CaTb2AlFe square pyramids, corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(6)Tb2AlFe tetrahedra,  a cornercorner with one O(7)CaTb3Al trigonal bipyramid, and  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Fe(1), and one Al(1) atom to form OTb2AlFe tetrahedra that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(4)CaTb2AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid, and  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid. In the third O site, O(3) is bonded to one Ca(1), one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom to form OCaTb2AlFe square pyramids that share  a cornercorner with one O(4)CaTb2AlFe trigonal bipyramid,  a cornercorner with one O(7)CaTb3Al trigonal bipyramid,  a cornercorner with one O(8)Tb3AlFe trigonal bipyramid, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(6)Tb2AlFe tetrahedra,  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid, and  a faceface with one O(12)CaTb2AlFe square pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Tb(3), one Tb(4), one Fe(1), and one Al(1) atom to form distorted OCaTb2AlFe trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(2)Tb2AlFe tetrahedra,  a cornercorner with one O(8)Tb3AlFe trigonal bipyramid, corners with two equivalent O(7)CaTb3Al trigonal bipyramids,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(6)Tb2AlFe tetrahedra,  an edgeedge with one O(7)CaTb3Al trigonal bipyramid,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid, and  a faceface with one O(12)CaTb2AlFe square pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Tb(1), one Tb(2), one Fe(1), and one Al(2) atom. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(3), one Fe(2), and one Al(1) atom to form distorted OTb2AlFe tetrahedra that share corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(7)CaTb3Al trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(3)CaTb2AlFe square pyramid, and  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Tb(2), one Tb(3), one Tb(4), and one Al(1) atom to form distorted OCaTb3Al trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(4)CaTb2AlFe trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids,  a cornercorner with one O(1)Tb2AlFe trigonal pyramid,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(2)Tb2AlFe tetrahedra, and  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid. In the eighth O site, O(8) is bonded to one Tb(1), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom to form OTb3AlFe trigonal bipyramids that share  a cornercorner with one O(3)CaTb2AlFe square pyramid, corners with two equivalent O(12)CaTb2AlFe square pyramids, corners with two equivalent O(6)Tb2AlFe tetrahedra,  a cornercorner with one O(4)CaTb2AlFe trigonal bipyramid, corners with two equivalent O(7)CaTb3Al trigonal bipyramids,  an edgeedge with one O(12)CaTb2AlFe square pyramid,  an edgeedge with one O(3)CaTb2AlFe square pyramid,  an edgeedge with one O(2)Tb2AlFe tetrahedra,  an edgeedge with one O(4)CaTb2AlFe trigonal bipyramid, and  an edgeedge with one O(1)Tb2AlFe trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Tb(2), one Tb(3), one Tb(4), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(2), and one Al(1) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Tb(1), one Tb(3), one Fe(1), and one Al(2) atom to form distorted OCaTb2AlFe square pyramids that share corners with two equivalent O(2)Tb2AlFe tetrahedra, corners with two equivalent O(6)Tb2AlFe tetrahedra, corners with two equivalent O(7)CaTb3Al trigonal bipyramids, corners with two equivalent O(8)Tb3AlFe trigonal bipyramids, corners with two equivalent O(1)Tb2AlFe trigonal pyramids,  an edgeedge with one O(8)Tb3AlFe trigonal bipyramid,  a faceface with one O(3)CaTb2AlFe square pyramid, and  a faceface with one O(4)CaTb2AlFe trigonal bipyramid. is represented by the CIF card [CIF]
data_CaTb4Al2(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.036
_cell_length_c   7.375
_cell_angle_alpha   89.320
_cell_angle_beta   91.311
_cell_angle_gamma   96.875
_symmetry_Int_Tables_number   1
_cell_volume   254.545
_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  0.890  0.206  0.845  1.0
  Tb  Tb1  1  0.486  0.568  0.251  1.0
  Tb  Tb2  1  0.049  0.061  0.254  1.0
  Tb  Tb3  1  0.461  0.421  0.750  1.0
  Tb  Tb4  1  0.155  0.872  0.699  1.0
  Al  Al5  1  0.971  0.487  0.489  1.0
  Al  Al6  1  0.487  0.994  0.014  1.0
  Fe  Fe7  1  0.962  0.604  0.035  1.0
  Fe  Fe8  1  0.611  0.010  0.479  1.0
  O  O9  1  0.405  0.947  0.259  1.0
  O  O10  1  0.088  0.442  0.252  1.0
  O  O11  1  0.542  0.041  0.747  1.0
  O  O12  1  0.888  0.560  0.749  1.0
  O  O13  1  0.774  0.880  0.057  1.0
  O  O14  1  0.664  0.348  0.460  1.0
  O  O15  1  0.096  0.210  0.572  1.0
  O  O16  1  0.321  0.691  0.952  1.0
  O  O17  1  0.216  0.124  0.960  1.0
  O  O18  1  0.303  0.632  0.539  1.0
  O  O19  1  0.867  0.783  0.433  1.0
  O  O20  1  0.639  0.334  0.041  1.0
[/CIF]
.