data_Y2MnCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.65
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   124.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCoO6
_chemical_formula_sum   'Y4 Mn2 Co2 O12'
_cell_volume   227.0
_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  0.55  0.4  0.89  1.0
  Y  Y1  1  0.92  0.42  0.68  1.0
  Y  Y2  1  0.49  0.25  0.68  1.0
  Y  Y3  1  0.12  0.23  0.89  1.0
  Mn  Mn4  1  0.37  0.83  0.79  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Co  Co6  1  0.02  0.0  0.79  1.0
  Co  Co7  1  0.65  0.83  0.0  1.0
  O  O8  1  0.24  0.61  0.94  1.0
  O  O9  1  0.61  0.22  0.73  1.0
  O  O10  1  0.79  0.05  0.64  1.0
  O  O11  1  0.43  0.43  0.85  1.0
  O  O12  1  0.95  0.88  0.19  1.0
  O  O13  1  0.58  0.6  0.4  1.0
  O  O14  1  0.09  0.77  0.38  1.0
  O  O15  1  0.46  0.05  0.17  1.0
  O  O16  1  0.34  0.18  0.23  1.0
  O  O17  1  0.97  0.65  0.44  1.0
  O  O18  1  0.7  0.47  0.35  1.0
  O  O19  1  0.07  0.0  0.14  1.0

data_Y2MnCoO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.65
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCoO6
_chemical_formula_sum   'Y4 Mn2 Co2 O12'
_cell_volume   227.0
_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  0.22  0.77  0.11  1.0
  Y  Y1  1  0.24  0.58  0.32  1.0
  Y  Y2  1  0.66  0.6  0.11  1.0
  Y  Y3  1  0.8  0.75  0.32  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.58  0.17  0.21  1.0
  Co  Co6  1  0.23  0.0  0.21  1.0
  Co  Co7  1  0.65  0.17  -0.0  1.0
  O  O8  1  0.11  0.82  0.77  1.0
  O  O9  1  0.16  0.95  0.36  1.0
  O  O10  1  0.17  0.4  0.6  1.0
  O  O11  1  0.28  0.95  0.83  1.0
  O  O12  1  0.3  0.39  0.06  1.0
  O  O13  1  0.35  0.53  0.65  1.0
  O  O14  1  0.53  0.35  0.56  1.0
  O  O15  1  0.58  0.57  0.15  1.0
  O  O16  1  0.71  0.23  0.62  1.0
  O  O17  1  0.75  0.12  0.81  1.0
  O  O18  1  0.88  0.78  0.27  1.0
  O  O19  1  0.93  1.0  0.86  1.0

Y Y Y Y Mn Mn Co Co O O O O O O O O O O O O
Y Y Y Y Mn Mn Co Co O O O O O O O O O O O O 0 11 o o o 0 8 o o o 1 10 o o o 1 9 o o o 1 2 o o o 1 13 o o o 1 6 + o o 1 3 + o o 1 11 + o o 1 8 + o o 2 9 o o o 3 6 o o o 3 8 o o o 4 7 o o + 4 8 o o o 5 19 o o o 6 10 - o o 7 12 o o o 7 8 o o - 8 11 o o o 12 19 + + o 13 18 o o o 14 17 - o o 15 16 o o o 
Y2MnCoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one O(4) atom. The Y(1)-O(4) bond length is 0.57 Å. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(4), and one O(6) atom. The Y(2)-O(1) bond length is 2.24 Å. The Y(2)-O(10) bond length is 2.70 Å. The Y(2)-O(11) bond length is 2.64 Å. The Y(2)-O(2) bond length is 2.23 Å. The Y(2)-O(3) bond length is 2.20 Å. The Y(2)-O(4) bond length is 2.21 Å. The Y(2)-O(6) bond length is 2.35 Å. In the third Y site, Y(3) is bonded in a single-bond geometry to one O(10) and one O(2) atom. The Y(3)-O(10) bond length is 3.26 Å. The Y(3)-O(2) bond length is 0.57 Å. In the fourth Y site, Y(4) is bonded in a 1-coordinate geometry to one Co(1), one O(1), and one O(8) atom. The Y(4)-Co(1) bond length is 1.52 Å. The Y(4)-O(1) bond length is 2.20 Å. The Y(4)-O(8) bond length is 2.35 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one O(1), one O(10), and one O(4) atom. The Mn(1)-Co(1) bond length is 2.10 Å. The Mn(1)-Co(2) bond length is 1.65 Å. The Mn(1)-O(1) bond length is 2.24 Å. The Mn(1)-O(10) bond length is 2.83 Å. The Mn(1)-O(4) bond length is 2.27 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one O(1), one O(12), and one O(8) atom. The Mn(2)-O(1) bond length is 2.77 Å. The Mn(2)-O(12) bond length is 1.09 Å. The Mn(2)-O(8) bond length is 2.03 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Y(4), one Mn(1), one O(1), and one O(3) atom. The Co(1)-O(1) bond length is 2.54 Å. The Co(1)-O(3) bond length is 1.25 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Mn(1), one O(1), one O(5), and one O(8) atom. The Co(2)-O(1) bond length is 2.28 Å. The Co(2)-O(5) bond length is 1.59 Å. The Co(2)-O(8) bond length is 2.68 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Y(2), one Y(4), one Mn(1), one Mn(2), one Co(1), one Co(2), and one O(4) atom. The O(1)-O(4) bond length is 1.91 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Y(2) and one Y(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Y(1), one Y(2), one Mn(1), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Co(2) and one O(7) atom. The O(5)-O(7) bond length is 1.60 Å. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Y(2), one O(10), and one O(11) atom. The O(6)-O(10) bond length is 1.91 Å. The O(6)-O(11) bond length is 1.25 Å. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one O(10) and one O(5) atom. The O(7)-O(10) bond length is 1.25 Å. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Y(4), one Mn(2), one Co(2), and one O(9) atom. The O(8)-O(9) bond length is 1.25 Å. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one O(12) and one O(8) atom. The O(9)-O(12) bond length is 1.53 Å. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Y(2), one Y(3), one Mn(1), one O(11), one O(6), and one O(7) atom. The O(10)-O(11) bond length is 1.53 Å. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Y(2), one O(10), and one O(6) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Mn(2) and one O(9) atom.