data_Y14Al2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   12.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y14Al2Co3
_chemical_formula_sum   'Y28 Al4 Co6'
_cell_volume   1081.18
_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
  Y  Y10  1  0.0  0.68  0.21  1.0
  Y  Y11  1  0.92  0.84  0.76  1.0
  Y  Y12  1  0.92  0.84  0.7  1.0
  Y  Y13  1  0.0  0.68  0.15  1.0
  Y  Y14  1  0.2  0.66  0.68  1.0
  Y  Y15  1  0.42  0.46  0.68  1.0
  Y  Y16  1  0.38  0.92  0.68  1.0
  Y  Y17  1  0.72  0.86  0.23  1.0
  Y  Y18  1  0.5  0.06  0.23  1.0
  Y  Y19  1  0.53  0.6  0.23  1.0
  Y  Y20  1  0.33  0.06  0.23  1.0
  Y  Y21  1  0.3  0.6  0.23  1.0
  Y  Y22  1  0.12  0.86  0.23  1.0
  Y  Y23  1  0.58  0.46  0.68  1.0
  Y  Y24  1  0.62  0.92  0.68  1.0
  Y  Y25  1  0.8  0.66  0.68  1.0
  Y  Y26  1  0.09  0.78  0.96  1.0
  Y  Y27  1  0.0  0.47  0.96  1.0
  Y  Y28  1  0.91  0.78  0.96  1.0
  Y  Y29  1  0.83  0.73  0.41  1.0
  Y  Y30  1  0.92  0.05  0.41  1.0
  Y  Y31  1  0.0  0.73  0.41  1.0
  Y  Y32  1  0.92  0.05  0.95  1.0
  Y  Y33  1  0.83  0.73  0.95  1.0
  Y  Y34  1  0.0  0.73  0.95  1.0
  Y  Y35  1  0.0  0.47  0.5  1.0
  Y  Y36  1  0.09  0.78  0.5  1.0
  Y  Y37  1  0.91  0.78  0.5  1.0
  Al  Al0  1  0.0  0.0  0.68  1.0
  Al  Al1  1  0.0  0.0  0.23  1.0
  Al  Al2  1  0.0  0.68  0.23  1.0
  Al  Al3  1  0.92  0.84  0.68  1.0
  Co  Co4  1  0.46  0.26  0.46  1.0
  Co  Co5  1  0.92  0.0  0.46  1.0
  Co  Co6  1  0.54  0.26  0.46  1.0
  Co  Co7  1  0.46  0.26  0.0  1.0
  Co  Co8  1  0.92  0.0  0.0  1.0
  Co  Co9  1  0.54  0.26  0.0  1.0

data_Y14Al2Co3
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   12.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y14Al2Co3
_chemical_formula_sum   'Y28 Al4 Co6'
_cell_volume   1081.18
_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
  Y  Y0  1  0.0  0.47  0.5  1.0
  Y  Y1  1  0.0  0.47  0.96  1.0
  Y  Y2  1  0.0  0.68  0.15  1.0
  Y  Y3  1  0.0  0.68  0.21  1.0
  Y  Y4  1  0.0  0.73  0.41  1.0
  Y  Y5  1  0.0  0.73  0.95  1.0
  Y  Y6  1  0.09  0.78  0.5  1.0
  Y  Y7  1  0.09  0.78  0.96  1.0
  Y  Y8  1  0.12  0.86  0.23  1.0
  Y  Y9  1  0.2  0.66  0.68  1.0
  Y  Y10  1  0.3  0.6  0.23  1.0
  Y  Y11  1  0.33  0.06  0.23  1.0
  Y  Y12  1  0.38  0.92  0.68  1.0
  Y  Y13  1  0.42  0.46  0.68  1.0
  Y  Y14  1  0.5  0.06  0.23  1.0
  Y  Y15  1  0.53  0.6  0.23  1.0
  Y  Y16  1  0.58  0.46  0.68  1.0
  Y  Y17  1  0.62  0.92  0.68  1.0
  Y  Y18  1  0.72  0.86  0.23  1.0
  Y  Y19  1  0.8  0.66  0.68  1.0
  Y  Y20  1  0.83  0.73  0.41  1.0
  Y  Y21  1  0.83  0.73  0.95  1.0
  Y  Y22  1  0.91  0.78  0.5  1.0
  Y  Y23  1  0.91  0.78  0.96  1.0
  Y  Y24  1  0.92  0.05  0.41  1.0
  Y  Y25  1  0.92  0.05  0.95  1.0
  Y  Y26  1  0.92  0.84  0.7  1.0
  Y  Y27  1  0.92  0.84  0.76  1.0
  Al  Al28  1  0.0  0.0  0.23  1.0
  Al  Al29  1  0.0  0.0  0.68  1.0
  Al  Al30  1  0.0  0.68  0.23  1.0
  Al  Al31  1  0.92  0.84  0.68  1.0
  Co  Co32  1  0.46  0.26  0.0  1.0
  Co  Co33  1  0.46  0.26  0.46  1.0
  Co  Co34  1  0.54  0.26  0.0  1.0
  Co  Co35  1  0.54  0.26  0.46  1.0
  Co  Co36  1  0.92  0.0  0.0  1.0
  Co  Co37  1  0.92  0.0  0.46  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Al Al Al Al Co Co Co Co Co Co
Y14Co3Al2 crystallizes in the triclinic P1 space group. There are twenty-eight inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Y(4) and one Al(3) atom. The Y(1)-Y(4) bond length is 0.72 Å. The Y(1)-Al(3) bond length is 0.22 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Y(3) and one Al(1) atom. The Y(2)-Y(3) bond length is 0.72 Å. The Y(2)-Al(1) bond length is 1.66 Å. In the third Y site, Y(3) is bonded in a single-bond geometry to one Y(2), one Al(1), and one Al(4) atom. The Y(3)-Al(1) bond length is 1.39 Å. The Y(3)-Al(4) bond length is 0.22 Å. In the fourth Y site, Y(4) is bonded in a single-bond geometry to one Y(1) and one Y(18) atom. The Y(4)-Y(18) bond length is 3.28 Å. In the fifth Y site, Y(5) is bonded in a 1-coordinate geometry to one Y(18), one Y(26), and one Y(7) atom. The Y(5)-Y(18) bond length is 4.04 Å. The Y(5)-Y(26) bond length is 3.08 Å. The Y(5)-Y(7) bond length is 2.25 Å. In the sixth Y site, Y(6) is bonded in a distorted single-bond geometry to one Y(14) atom. The Y(6)-Y(14) bond length is 1.64 Å. In the seventh Y site, Y(7) is bonded in a distorted water-like geometry to one Y(15) and one Y(5) atom. The Y(7)-Y(15) bond length is 2.32 Å. In the eighth Y site, Y(8) is bonded in a 1-coordinate geometry to one Y(10) and one Al(2) atom. The Y(8)-Y(10) bond length is 2.25 Å. The Y(8)-Al(2) bond length is 2.42 Å. In the ninth Y site, Y(9) is bonded in a 1-coordinate geometry to one Y(11) atom. The Y(9)-Y(11) bond length is 1.64 Å. In the tenth Y site, Y(10) is bonded in a distorted water-like geometry to one Y(12) and one Y(8) atom. The Y(10)-Y(12) bond length is 2.32 Å. In the eleventh Y site, Y(11) is bonded in a 5-coordinate geometry to one Y(13), one Y(9), one Co(1), one Co(4), and one Al(2) atom. The Y(11)-Y(13) bond length is 2.04 Å. The Y(11)-Co(1) bond length is 3.41 Å. The Y(11)-Co(4) bond length is 3.41 Å. The Y(11)-Al(2) bond length is 3.04 Å. In the twelfth Y site, Y(12) is bonded in a 1-coordinate geometry to one Y(10) and one Y(18) atom. The Y(12)-Y(18) bond length is 4.31 Å. In the thirteenth Y site, Y(13) is bonded in a 2-coordinate geometry to one Y(11), one Al(2), and one Al(3) atom. The Y(13)-Al(2) bond length is 2.21 Å. The Y(13)-Al(3) bond length is 1.57 Å. In the fourteenth Y site, Y(14) is bonded in a 4-coordinate geometry to one Y(16), one Y(6), one Co(1), and one Co(3) atom. The Y(14)-Y(16) bond length is 2.04 Å. The Y(14)-Co(1) bond length is 3.41 Å. The Y(14)-Co(3) bond length is 3.45 Å. In the fifteenth Y site, Y(15) is bonded in a 1-coordinate geometry to one Y(7) atom. In the sixteenth Y site, Y(16) is bonded in a distorted single-bond geometry to one Y(14) and one Al(4) atom. The Y(16)-Al(4) bond length is 1.57 Å. In the seventeenth Y site, Y(17) is bonded in a single-bond geometry to one Y(18) and one Y(25) atom. The Y(17)-Y(18) bond length is 2.78 Å. The Y(17)-Y(25) bond length is 0.72 Å. In the eighteenth Y site, Y(18) is bonded in a 7-coordinate geometry to one Y(12), one Y(17), one Y(23), one Y(25), one Y(4), one Y(5), and one Co(6) atom. The Y(18)-Y(23) bond length is 3.77 Å. The Y(18)-Y(25) bond length is 2.61 Å. The Y(18)-Co(6) bond length is 3.95 Å. In the nineteenth Y site, Y(19) is bonded in a 3-coordinate geometry to one Y(24), one Y(25), and one Co(5) atom. The Y(19)-Y(24) bond length is 0.72 Å. The Y(19)-Y(25) bond length is 1.19 Å. The Y(19)-Co(5) bond length is 2.19 Å. In the twentieth Y site, Y(20) is bonded in a 3-coordinate geometry to one Y(22), one Y(28), and one Co(2) atom. The Y(20)-Y(22) bond length is 1.69 Å. The Y(20)-Y(28) bond length is 1.29 Å. The Y(20)-Co(2) bond length is 2.38 Å. In the twenty-first Y site, Y(21) is bonded in a single-bond geometry to one Y(26) and one Co(2) atom. The Y(21)-Y(26) bond length is 3.92 Å. The Y(21)-Co(2) bond length is 0.72 Å. In the twenty-second Y site, Y(22) is bonded in a 4-coordinate geometry to one Y(20), one Y(26), one Y(27), one Y(28), and one Al(3) atom. The Y(22)-Y(26) bond length is 2.82 Å. The Y(22)-Y(27) bond length is 1.29 Å. The Y(22)-Y(28) bond length is 1.60 Å. The Y(22)-Al(3) bond length is 2.46 Å. In the twenty-third Y site, Y(23) is bonded in a single-bond geometry to one Y(18) and one Co(5) atom. The Y(23)-Co(5) bond length is 0.78 Å. In the twenty-fourth Y site, Y(24) is bonded in a single-bond geometry to one Y(19) atom. In the twenty-fifth Y site, Y(25) is bonded in a bent 120 degrees geometry to one Y(17), one Y(18), and one Y(19) atom. In the twenty-sixth Y site, Y(26) is bonded in a 5-coordinate geometry to one Y(21), one Y(22), one Y(27), one Y(5), and one Co(3) atom. The Y(26)-Y(27) bond length is 2.78 Å. The Y(26)-Co(3) bond length is 3.95 Å. In the twenty-seventh Y site, Y(27) is bonded in a 2-coordinate geometry to one Y(22), one Y(26), and one Y(28) atom. The Y(27)-Y(28) bond length is 1.69 Å. In the twenty-eighth Y site, Y(28) is bonded in a 5-coordinate geometry to one Y(20), one Y(22), one Y(27), one Co(2), and one Al(4) atom. The Y(28)-Co(2) bond length is 2.19 Å. The Y(28)-Al(4) bond length is 2.46 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Y(11), one Y(14), and one Co(3) atom. The Co(1)-Co(3) bond length is 0.82 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Y(20), one Y(21), one Y(28), and one Al(1) atom. The Co(2)-Al(1) bond length is 3.05 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one Y(14), one Y(26), and one Co(1) atom. In the fourth Co site, Co(4) is bonded in a distorted single-bond geometry to one Y(11) and one Co(6) atom. The Co(4)-Co(6) bond length is 0.82 Å. In the fifth Co site, Co(5) is bonded in a 1-coordinate geometry to one Y(19) and one Y(23) atom. In the sixth Co site, Co(6) is bonded in a distorted single-bond geometry to one Y(18) and one Co(4) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Y(2), one Y(3), one Co(2), and one Al(4) atom. The Al(1)-Al(4) bond length is 1.37 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Y(11), one Y(13), and one Y(8) atom. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Y(1), one Y(13), and one Y(22) atom. In the fourth Al site, Al(4) is bonded in a single-bond geometry to one Y(16), one Y(28), one Y(3), and one Al(1) atom.