data_Y4CoB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4CoB13
_chemical_formula_sum   'Y8 Co2 B26'
_cell_volume   371.21
_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  0.32  0.02  0.0  1.0
  Y  Y1  1  0.02  1.0  0.0  1.0
  Y  Y2  1  0.31  0.32  0.0  1.0
  Y  Y3  1  0.34  0.35  0.46  1.0
  Y  Y4  1  0.99  0.97  0.46  1.0
  Y  Y5  1  1.0  0.31  0.0  1.0
  Y  Y6  1  0.35  0.99  0.46  1.0
  Y  Y7  1  0.97  0.34  0.46  1.0
  Co  Co8  1  0.66  0.66  0.0  1.0
  Co  Co9  1  0.0  0.0  0.46  1.0
  B  B10  1  0.66  0.66  0.46  1.0
  B  B11  1  0.0  0.0  0.0  1.0
  B  B12  1  1.0  0.66  0.73  1.0
  B  B13  1  0.66  0.33  0.73  1.0
  B  B14  1  0.67  1.0  0.73  1.0
  B  B15  1  0.33  0.67  0.73  1.0
  B  B16  1  0.33  0.67  0.19  1.0
  B  B17  1  0.67  1.0  0.19  1.0
  B  B18  1  0.66  0.33  0.19  1.0
  B  B19  1  1.0  0.66  0.19  1.0
  B  B20  1  0.9  0.95  0.76  1.0
  B  B21  1  0.95  0.42  0.76  1.0
  B  B22  1  0.37  0.9  0.76  1.0
  B  B23  1  0.08  0.29  0.7  1.0
  B  B24  1  0.24  0.04  0.7  1.0
  B  B25  1  0.42  0.37  0.76  1.0
  B  B26  1  0.29  0.24  0.7  1.0
  B  B27  1  0.04  0.08  0.7  1.0
  B  B28  1  0.42  0.37  0.16  1.0
  B  B29  1  0.37  0.9  0.16  1.0
  B  B30  1  0.95  0.42  0.16  1.0
  B  B31  1  0.24  0.04  0.22  1.0
  B  B32  1  0.08  0.29  0.22  1.0
  B  B33  1  0.9  0.95  0.16  1.0
  B  B34  1  0.04  0.08  0.22  1.0
  B  B35  1  0.29  0.24  0.22  1.0

data_Y4CoB13
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.92
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4CoB13
_chemical_formula_sum   'Y8 Co2 B26'
_cell_volume   371.21
_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  0.02  1.0  1.0
  Y  Y1  1  -0.0  0.31  0.32  1.0
  Y  Y2  1  -0.0  1.0  0.31  1.0
  Y  Y3  1  -0.0  0.32  0.02  1.0
  Y  Y4  1  0.46  0.34  0.35  1.0
  Y  Y5  1  0.46  0.35  0.99  1.0
  Y  Y6  1  0.46  0.97  0.34  1.0
  Y  Y7  1  0.46  0.99  0.97  1.0
  Co  Co8  1  -0.0  0.66  0.66  1.0
  Co  Co9  1  0.46  0.0  0.0  1.0
  B  B10  1  0.0  0.0  0.0  1.0
  B  B11  1  0.16  0.37  0.9  1.0
  B  B12  1  0.16  0.42  0.37  1.0
  B  B13  1  0.16  0.9  0.95  1.0
  B  B14  1  0.16  0.95  0.42  1.0
  B  B15  1  0.19  0.33  0.67  1.0
  B  B16  1  0.19  0.66  0.33  1.0
  B  B17  1  0.19  0.67  1.0  1.0
  B  B18  1  0.19  1.0  0.66  1.0
  B  B19  1  0.22  0.04  0.08  1.0
  B  B20  1  0.22  0.08  0.29  1.0
  B  B21  1  0.22  0.24  0.04  1.0
  B  B22  1  0.22  0.29  0.24  1.0
  B  B23  1  0.46  0.66  0.66  1.0
  B  B24  1  0.7  0.04  0.08  1.0
  B  B25  1  0.7  0.08  0.29  1.0
  B  B26  1  0.7  0.24  0.04  1.0
  B  B27  1  0.7  0.29  0.24  1.0
  B  B28  1  0.73  0.33  0.67  1.0
  B  B29  1  0.73  0.66  0.33  1.0
  B  B30  1  0.73  0.67  1.0  1.0
  B  B31  1  0.73  1.0  0.66  1.0
  B  B32  1  0.76  0.37  0.9  1.0
  B  B33  1  0.76  0.42  0.37  1.0
  B  B34  1  0.76  0.9  0.95  1.0
  B  B35  1  0.76  0.95  0.42  1.0

Y Y Y Y Y Y Y Y Co Co B B B B B B B B B B B B B B B B B B B B B B B B B B
Y Y Y Y Y Y Y Y Co Co B B B B B B B B B B B B B B B B B B B B B B B B B B 0 31 o o o 0 29 o - o 1 11 o + o 1 33 - o o 1 34 o + o 2 35 o o o 2 28 o o o 3 35 o o o 3 26 o o o 3 28 o o o 3 25 o o o 3 10 o o o 4 9 + + o 4 10 o o o 5 30 o o o 5 32 + o o 6 31 o + o 6 24 o + o 6 29 o o o 6 22 o o o 6 10 o o o 7 30 o o o 7 21 o o o 7 32 + o o 7 23 + o o 7 10 o o o 8 25 o o - 8 13 o o - 8 28 o o o 8 18 o o o 8 22 o o - 8 15 o o - 8 29 o o o 8 16 o o o 8 21 o o - 8 12 o o - 8 30 o o o 8 19 o o o 8 20 o o - 8 14 o o - 8 11 + + o 8 33 o o o 8 17 o o o 8 10 o o o 8 10 o o - 9 10 - - o 10 28 o o o 10 18 o o o 10 25 o o o 10 13 o o o 10 29 o o o 10 16 o o o 10 22 o o o 10 15 o o o 10 30 o o o 10 19 o o o 10 21 o o o 10 12 o o o 10 33 o o o 10 17 o o o 10 20 o o o 10 14 o o o 11 33 - - o 11 34 o o o 12 21 o o o 13 25 o o o 14 20 o o o 15 22 o o o 16 29 o o o 17 33 o o o 18 28 o o o 19 30 o o o 20 27 + + o 21 23 + o o 22 24 o + o 23 27 o o o 23 26 o o o 24 27 o o o 24 26 o o o 25 26 o o o 28 35 o o o 29 31 o + o 30 32 + o o 31 34 o o o 31 35 o o o 32 34 o o o 32 35 o o o 33 34 + + o 
Y4CoB13 crystallizes in the triclinic P1 space group. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one B(13), one B(15), one B(20), and one B(22) atom. The Y(1)-B(13) bond length is 1.92 Å. The Y(1)-B(15) bond length is 2.13 Å. The Y(1)-B(20) bond length is 1.45 Å. The Y(1)-B(22) bond length is 1.61 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one B(10), one B(18), one B(2), and one B(25) atom. The Y(2)-B(10) bond length is 2.83 Å. The Y(2)-B(18) bond length is 2.13 Å. The Y(2)-B(2) bond length is 0.11 Å. The Y(2)-B(25) bond length is 1.61 Å. In the third Y site, Y(3) is bonded in a 3-coordinate geometry to one B(16), one B(17), one B(19), one B(26), and one B(7) atom. The Y(3)-B(16) bond length is 1.92 Å. The Y(3)-B(17) bond length is 2.13 Å. The Y(3)-B(19) bond length is 1.45 Å. The Y(3)-B(26) bond length is 1.61 Å. The Y(3)-B(7) bond length is 2.83 Å. In the fourth Y site, Y(4) is bonded in a 4-coordinate geometry to one B(1), one B(16), one B(17), one B(19), one B(26), one B(7), and one B(9) atom. The Y(4)-B(1) bond length is 3.28 Å. The Y(4)-B(16) bond length is 2.13 Å. The Y(4)-B(17) bond length is 1.92 Å. The Y(4)-B(19) bond length is 2.13 Å. The Y(4)-B(26) bond length is 1.92 Å. The Y(4)-B(7) bond length is 2.96 Å. The Y(4)-B(9) bond length is 3.00 Å. In the fifth Y site, Y(5) is bonded in a single-bond geometry to one Co(2), one B(1), one B(10), one B(11), and one B(24) atom. The Y(5)-Co(2) bond length is 0.24 Å. The Y(5)-B(1) bond length is 3.28 Å. The Y(5)-B(10) bond length is 2.96 Å. The Y(5)-B(11) bond length is 2.13 Å. The Y(5)-B(24) bond length is 2.13 Å. In the sixth Y site, Y(6) is bonded in a 3-coordinate geometry to one B(12), one B(14), one B(21), one B(23), and one B(9) atom. The Y(6)-B(12) bond length is 1.92 Å. The Y(6)-B(14) bond length is 2.13 Å. The Y(6)-B(21) bond length is 1.45 Å. The Y(6)-B(23) bond length is 1.61 Å. The Y(6)-B(9) bond length is 2.83 Å. In the seventh Y site, Y(7) is bonded in a 4-coordinate geometry to one B(1), one B(13), one B(15), one B(20), one B(22), and one B(7) atom. The Y(7)-B(1) bond length is 3.28 Å. The Y(7)-B(13) bond length is 2.13 Å. The Y(7)-B(15) bond length is 1.92 Å. The Y(7)-B(20) bond length is 2.13 Å. The Y(7)-B(22) bond length is 1.92 Å. The Y(7)-B(7) bond length is 3.00 Å. In the eighth Y site, Y(8) is bonded in a 2-coordinate geometry to one B(1), one B(10), one B(12), one B(14), one B(23), and one B(9) atom. The Y(8)-B(1) bond length is 3.28 Å. The Y(8)-B(10) bond length is 3.00 Å. The Y(8)-B(12) bond length is 2.13 Å. The Y(8)-B(14) bond length is 1.92 Å. The Y(8)-B(23) bond length is 1.92 Å. The Y(8)-B(9) bond length is 2.96 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one B(10), one B(7), one B(8), and one B(9) atom. The Co(1)-B(10) bond length is 2.78 Å. The Co(1)-B(7) bond length is 2.78 Å. The Co(1)-B(8) bond length is 2.78 Å. The Co(1)-B(9) bond length is 2.78 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Y(5), one B(18), and one B(25) atom. The Co(2)-B(18) bond length is 1.82 Å. The Co(2)-B(25) bond length is 1.82 Å. There are twenty-six inequivalent B sites. In the first B site, B(1) is bonded in a square co-planar geometry to one Y(4), one Y(5), one Y(7), and one Y(8) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Y(2), one B(11), and one B(24) atom. The B(2)-B(11) bond length is 1.87 Å. The B(2)-B(24) bond length is 1.39 Å. In the third B site, B(3) is bonded in a 1-coordinate geometry to one B(11) and one B(12) atom. The B(3)-B(11) bond length is 2.25 Å. The B(3)-B(12) bond length is 1.78 Å. In the fourth B site, B(4) is bonded in a 1-coordinate geometry to one B(12) and one B(16) atom. The B(4)-B(12) bond length is 2.25 Å. The B(4)-B(16) bond length is 1.78 Å. In the fifth B site, B(5) is bonded in a 1-coordinate geometry to one B(11) and one B(13) atom. The B(5)-B(11) bond length is 1.78 Å. The B(5)-B(13) bond length is 2.25 Å. In the sixth B site, B(6) is bonded in a 1-coordinate geometry to one B(13) and one B(16) atom. The B(6)-B(13) bond length is 1.78 Å. The B(6)-B(16) bond length is 2.25 Å. In the seventh B site, B(7) is bonded in a 7-coordinate geometry to one Y(3), one Y(4), one Y(7), one Co(1), one B(10), one B(19), and one B(20) atom. The B(7)-B(10) bond length is 2.44 Å. The B(7)-B(19) bond length is 2.25 Å. The B(7)-B(20) bond length is 1.78 Å. In the eighth B site, B(8) is bonded in a 1-coordinate geometry to one Co(1), one B(24), and one B(9) atom. The B(8)-B(24) bond length is 1.78 Å. The B(8)-B(9) bond length is 2.44 Å. In the ninth B site, B(9) is bonded in a 7-coordinate geometry to one Y(4), one Y(6), one Y(8), one Co(1), one B(19), one B(21), and one B(8) atom. The B(9)-B(19) bond length is 1.78 Å. The B(9)-B(21) bond length is 2.25 Å. In the tenth B site, B(10) is bonded in a 7-coordinate geometry to one Y(2), one Y(5), one Y(8), one Co(1), one B(21), one B(24), and one B(7) atom. The B(10)-B(21) bond length is 1.78 Å. The B(10)-B(24) bond length is 2.25 Å. In the eleventh B site, B(11) is bonded in a 5-coordinate geometry to one Y(5), one B(18), one B(2), one B(3), and one B(5) atom. The B(11)-B(18) bond length is 1.41 Å. In the twelfth B site, B(12) is bonded in a 5-coordinate geometry to one Y(6), one Y(8), one B(14), one B(3), and one B(4) atom. The B(12)-B(14) bond length is 1.41 Å. In the thirteenth B site, B(13) is bonded in a 5-coordinate geometry to one Y(1), one Y(7), one B(15), one B(5), and one B(6) atom. The B(13)-B(15) bond length is 1.41 Å. In the fourteenth B site, B(14) is bonded in a 5-coordinate geometry to one Y(6), one Y(8), one B(12), one B(17), and one B(18) atom. The B(14)-B(17) bond length is 1.54 Å. The B(14)-B(18) bond length is 1.54 Å. In the fifteenth B site, B(15) is bonded in a 5-coordinate geometry to one Y(1), one Y(7), one B(13), one B(17), and one B(18) atom. The B(15)-B(17) bond length is 1.54 Å. The B(15)-B(18) bond length is 1.54 Å. In the sixteenth B site, B(16) is bonded in a 5-coordinate geometry to one Y(3), one Y(4), one B(17), one B(4), and one B(6) atom. The B(16)-B(17) bond length is 1.41 Å. In the seventeenth B site, B(17) is bonded in a 5-coordinate geometry to one Y(3), one Y(4), one B(14), one B(15), and one B(16) atom. In the eighteenth B site, B(18) is bonded in a 5-coordinate geometry to one Y(2), one Co(2), one B(11), one B(14), and one B(15) atom. In the nineteenth B site, B(19) is bonded in a distorted single-bond geometry to one Y(3), one Y(4), one B(26), one B(7), and one B(9) atom. The B(19)-B(26) bond length is 1.41 Å. In the twentieth B site, B(20) is bonded in a distorted single-bond geometry to one Y(1), one Y(7), one B(22), and one B(7) atom. The B(20)-B(22) bond length is 1.41 Å. In the twenty-first B site, B(21) is bonded in a distorted single-bond geometry to one Y(6), one B(10), one B(23), and one B(9) atom. The B(21)-B(23) bond length is 1.41 Å. In the twenty-second B site, B(22) is bonded in a 5-coordinate geometry to one Y(1), one Y(7), one B(20), one B(25), and one B(26) atom. The B(22)-B(25) bond length is 1.54 Å. The B(22)-B(26) bond length is 1.54 Å. In the twenty-third B site, B(23) is bonded in a 5-coordinate geometry to one Y(6), one Y(8), one B(21), one B(25), and one B(26) atom. The B(23)-B(25) bond length is 1.54 Å. The B(23)-B(26) bond length is 1.54 Å. In the twenty-fourth B site, B(24) is bonded in a 4-coordinate geometry to one Y(5), one B(10), one B(2), one B(25), and one B(8) atom. The B(24)-B(25) bond length is 1.41 Å. In the twenty-fifth B site, B(25) is bonded in a 5-coordinate geometry to one Y(2), one Co(2), one B(22), one B(23), and one B(24) atom. In the twenty-sixth B site, B(26) is bonded in a 5-coordinate geometry to one Y(3), one Y(4), one B(19), one B(22), and one B(23) atom.