data_Y5(MnCo6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   94.14
_cell_angle_beta   94.14
_cell_angle_gamma   94.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5(MnCo6)2
_chemical_formula_sum   'Y5 Mn2 Co12'
_cell_volume   304.25
_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
  Y  Y14  1  0.53  0.43  0.8  1.0
  Y  Y15  1  0.0  0.15  0.8  1.0
  Y  Y16  1  0.47  0.43  0.8  1.0
  Y  Y17  1  0.0  0.0  0.49  1.0
  Y  Y18  1  0.0  0.0  0.32  1.0
  Mn  Mn12  1  0.0  0.0  0.19  1.0
  Mn  Mn13  1  0.0  0.0  0.62  1.0
  Co  Co0  1  0.01  0.52  0.6  1.0
  Co  Co1  1  0.91  0.85  0.6  1.0
  Co  Co2  1  0.07  0.63  0.6  1.0
  Co  Co3  1  0.93  0.63  0.6  1.0
  Co  Co4  1  0.09  0.85  0.6  1.0
  Co  Co5  1  0.99  0.52  0.6  1.0
  Co  Co6  1  0.13  0.77  0.84  1.0
  Co  Co7  1  0.0  0.46  0.84  1.0
  Co  Co8  1  0.87  0.77  0.84  1.0
  Co  Co9  1  0.0  0.54  0.96  1.0
  Co  Co10  1  0.87  0.23  0.96  1.0
  Co  Co11  1  0.13  0.23  0.96  1.0

data_Y5(MnCo6)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   94.14
_cell_angle_beta   94.14
_cell_angle_gamma   94.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5(MnCo6)2
_chemical_formula_sum   'Y5 Mn2 Co12'
_cell_volume   304.25
_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
  Y  Y0  1  -0.0  0.15  0.8  1.0
  Y  Y1  1  0.0  0.0  0.32  1.0
  Y  Y2  1  0.0  0.0  0.49  1.0
  Y  Y3  1  0.47  0.43  0.8  1.0
  Y  Y4  1  0.53  0.43  0.8  1.0
  Mn  Mn5  1  0.0  0.0  0.19  1.0
  Mn  Mn6  1  0.0  0.0  0.62  1.0
  Co  Co7  1  -0.0  0.46  0.84  1.0
  Co  Co8  1  -0.0  0.54  0.96  1.0
  Co  Co9  1  0.01  0.52  0.6  1.0
  Co  Co10  1  0.07  0.63  0.6  1.0
  Co  Co11  1  0.09  0.85  0.6  1.0
  Co  Co12  1  0.13  0.23  0.96  1.0
  Co  Co13  1  0.13  0.77  0.84  1.0
  Co  Co14  1  0.87  0.23  0.96  1.0
  Co  Co15  1  0.87  0.77  0.84  1.0
  Co  Co16  1  0.91  0.85  0.6  1.0
  Co  Co17  1  0.93  0.63  0.6  1.0
  Co  Co18  1  0.99  0.52  0.6  1.0

Y Y Y Y Y Mn Mn Co Co Co Co Co Co Co Co Co Co Co Co
Y Y Y Y Y Mn Mn Co Co Co Co Co Co Co Co Co Co Co Co 0 2 o o o 1 17 - o o 1 6 o o o 1 18 o o o 3 6 o o o 4 5 o o o 6 8 - - o 6 11 o - o 7 12 - o o 7 9 o o o 7 10 - o o 8 11 + o o 8 15 o o o 9 12 - o o 9 10 - o o 9 13 o o o 10 12 o o o 10 13 + o o 10 15 o o o 11 13 o o o 13 16 o o o 13 15 - o o 14 16 o o o 15 16 + o o 17 18 + o o 
Y5(MnCo6)2 crystallizes in the triclinic P1 space group. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Y(3), one Co(11), and one Co(9) atom. The Y(1)-Y(3) bond length is 0.42 Å. The Y(1)-Co(11) bond length is 2.90 Å. The Y(1)-Co(9) bond length is 3.12 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Mn(2), one Co(11), one Co(12), and one Co(9) atom. The Y(2)-Mn(2) bond length is 1.53 Å. The Y(2)-Co(11) bond length is 1.54 Å. The Y(2)-Co(12) bond length is 1.40 Å. The Y(2)-Co(9) bond length is 2.68 Å. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one Y(1) and one Co(12) atom. The Y(3)-Co(12) bond length is 2.88 Å. In the fourth Y site, Y(4) is bonded in a distorted single-bond geometry to one Y(5) and one Mn(2) atom. The Y(4)-Y(5) bond length is 1.16 Å. The Y(4)-Mn(2) bond length is 0.88 Å. In the fifth Y site, Y(5) is bonded in a distorted linear geometry to one Y(4) and one Mn(1) atom. The Y(5)-Mn(1) bond length is 0.88 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Y(5) and one Co(9) atom. The Mn(1)-Co(9) bond length is 2.75 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), one Co(2), and one Co(5) atom. The Mn(2)-Co(2) bond length is 1.12 Å. The Mn(2)-Co(5) bond length is 1.20 Å. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Co(3) and one Co(6) atom. The Co(1)-Co(3) bond length is 0.87 Å. The Co(1)-Co(6) bond length is 0.17 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Mn(2), one Co(5), and one Co(9) atom. The Co(2)-Co(5) bond length is 1.17 Å. The Co(2)-Co(9) bond length is 1.79 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Co(1) and one Co(4) atom. The Co(3)-Co(4) bond length is 1.00 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Co(3), one Co(6), and one Co(9) atom. The Co(4)-Co(6) bond length is 0.92 Å. The Co(4)-Co(9) bond length is 1.89 Å. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one Mn(2) and one Co(2) atom. In the sixth Co site, Co(6) is bonded in a single-bond geometry to one Co(1) and one Co(4) atom. In the seventh Co site, Co(7) is bonded in a 1-coordinate geometry to one Co(9) atom. The Co(7)-Co(9) bond length is 1.76 Å. In the eighth Co site, Co(8) is bonded in a distorted single-bond geometry to one Co(10) atom. The Co(8)-Co(10) bond length is 0.94 Å. In the ninth Co site, Co(9) is bonded in a 7-coordinate geometry to one Y(1), one Y(2), one Mn(1), one Co(10), one Co(2), one Co(4), and one Co(7) atom. The Co(9)-Co(10) bond length is 2.02 Å. In the tenth Co site, Co(10) is bonded in a single-bond geometry to one Co(8) and one Co(9) atom. In the eleventh Co site, Co(11) is bonded in a distorted single-bond geometry to one Y(1) and one Y(2) atom. In the twelfth Co site, Co(12) is bonded in a single-bond geometry to one Y(2) and one Y(3) atom.