data_MgCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98
_cell_length_b   7.13
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo
_chemical_formula_sum   'Mg12 Co12'
_cell_volume   372.82
_cell_formula_units_Z   12
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
  Mg  Mg12  1  0.26  0.26  0.31  1.0
  Mg  Mg13  1  0.72  0.87  0.93  1.0
  Mg  Mg14  1  0.72  0.83  0.31  1.0
  Mg  Mg15  1  0.26  0.31  0.93  1.0
  Mg  Mg16  1  0.8  0.18  0.31  1.0
  Mg  Mg17  1  0.18  0.95  0.93  1.0
  Mg  Mg18  1  0.18  0.62  0.31  1.0
  Mg  Mg19  1  0.8  0.52  0.93  1.0
  Mg  Mg20  1  0.89  0.35  0.0  1.0
  Mg  Mg21  1  0.08  0.78  0.62  1.0
  Mg  Mg22  1  0.08  0.78  0.0  1.0
  Mg  Mg23  1  0.89  0.35  0.62  1.0
  Co  Co0  1  0.18  0.22  0.31  1.0
  Co  Co1  1  0.79  0.91  0.93  1.0
  Co  Co2  1  0.79  0.79  0.31  1.0
  Co  Co3  1  0.18  0.34  0.93  1.0
  Co  Co4  1  0.54  0.85  0.31  1.0
  Co  Co5  1  0.44  0.29  0.93  1.0
  Co  Co6  1  0.44  0.28  0.31  1.0
  Co  Co7  1  0.54  0.86  0.93  1.0
  Co  Co8  1  0.58  0.35  0.0  1.0
  Co  Co9  1  0.4  0.78  0.62  1.0
  Co  Co10  1  0.4  0.78  0.0  1.0
  Co  Co11  1  0.58  0.35  0.62  1.0

data_MgCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   7.13
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo
_chemical_formula_sum   'Mg12 Co12'
_cell_volume   372.82
_cell_formula_units_Z   12
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
  Mg  Mg0  1  -0.0  0.22  0.92  1.0
  Mg  Mg1  1  -0.0  0.65  0.11  1.0
  Mg  Mg2  1  0.07  0.05  0.82  1.0
  Mg  Mg3  1  0.07  0.13  0.28  1.0
  Mg  Mg4  1  0.07  0.48  0.2  1.0
  Mg  Mg5  1  0.07  0.69  0.74  1.0
  Mg  Mg6  1  0.38  0.22  0.92  1.0
  Mg  Mg7  1  0.38  0.65  0.11  1.0
  Mg  Mg8  1  0.69  0.17  0.28  1.0
  Mg  Mg9  1  0.69  0.38  0.82  1.0
  Mg  Mg10  1  0.69  0.74  0.74  1.0
  Mg  Mg11  1  0.69  0.82  0.2  1.0
  Co  Co12  1  -0.0  0.65  0.42  1.0
  Co  Co13  1  -0.0  0.22  0.6  1.0
  Co  Co14  1  0.07  0.09  0.21  1.0
  Co  Co15  1  0.07  0.14  0.46  1.0
  Co  Co16  1  0.07  0.66  0.82  1.0
  Co  Co17  1  0.07  0.71  0.56  1.0
  Co  Co18  1  0.38  0.22  0.6  1.0
  Co  Co19  1  0.38  0.65  0.42  1.0
  Co  Co20  1  0.69  0.15  0.46  1.0
  Co  Co21  1  0.69  0.21  0.21  1.0
  Co  Co22  1  0.69  0.72  0.56  1.0
  Co  Co23  1  0.69  0.78  0.82  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Co Co Co Co Co Co Co Co Co Co Co Co
Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Co Co Co Co Co Co Co Co Co Co Co Co 0 12 o o o 0 6 o o o 0 18 o o o 1 13 o o o 1 19 o o o 2 14 o o o 2 4 o + o 2 16 o o o 3 15 o o o 3 17 o o o 4 8 o o o 4 11 o o o 5 10 o o + 5 9 o o o 6 10 o o o 6 9 o o o 7 8 o o + 7 11 o o o 8 11 o o - 9 10 o o + 16 22 o o o 16 21 o o o 16 19 o o - 17 20 o o + 17 18 o o + 17 23 o o o 18 23 o o o 19 22 o o + 19 21 o o o 20 23 o o - 21 22 o o + 
MgCo crystallizes in the triclinic P1 space group. There are twelve inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(7), one Co(1), and one Co(7) atom. The Mg(1)-Mg(7) bond length is 2.67 Å. The Mg(1)-Co(1) bond length is 0.83 Å. The Mg(1)-Co(7) bond length is 1.73 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Co(2) and one Co(8) atom. The Mg(2)-Co(2) bond length is 0.83 Å. The Mg(2)-Co(8) bond length is 1.73 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Mg(5), one Co(3), and one Co(5) atom. The Mg(3)-Mg(5) bond length is 2.67 Å. The Mg(3)-Co(3) bond length is 0.83 Å. The Mg(3)-Co(5) bond length is 1.73 Å. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to one Mg(6), one Co(4), and one Co(6) atom. The Mg(4)-Mg(6) bond length is 2.67 Å. The Mg(4)-Co(4) bond length is 0.83 Å. The Mg(4)-Co(6) bond length is 1.73 Å. In the fifth Mg site, Mg(5) is bonded in a 7-coordinate geometry to one Mg(12), one Mg(3), one Mg(9), one Co(12), one Co(2), one Co(3), and one Co(9) atom. The Mg(5)-Mg(12) bond length is 2.23 Å. The Mg(5)-Mg(9) bond length is 2.23 Å. The Mg(5)-Co(12) bond length is 3.01 Å. The Mg(5)-Co(2) bond length is 2.79 Å. The Mg(5)-Co(3) bond length is 2.79 Å. The Mg(5)-Co(9) bond length is 3.01 Å. In the sixth Mg site, Mg(6) is bonded in a 7-coordinate geometry to one Mg(10), one Mg(11), one Mg(4), one Co(1), one Co(10), one Co(11), and one Co(4) atom. The Mg(6)-Mg(10) bond length is 2.23 Å. The Mg(6)-Mg(11) bond length is 1.57 Å. The Mg(6)-Co(1) bond length is 2.79 Å. The Mg(6)-Co(10) bond length is 3.01 Å. The Mg(6)-Co(11) bond length is 2.56 Å. The Mg(6)-Co(4) bond length is 2.79 Å. In the seventh Mg site, Mg(7) is bonded in a 7-coordinate geometry to one Mg(1), one Mg(10), one Mg(11), one Co(1), one Co(10), one Co(11), and one Co(4) atom. The Mg(7)-Mg(10) bond length is 2.23 Å. The Mg(7)-Mg(11) bond length is 2.23 Å. The Mg(7)-Co(1) bond length is 2.79 Å. The Mg(7)-Co(10) bond length is 3.01 Å. The Mg(7)-Co(11) bond length is 3.01 Å. The Mg(7)-Co(4) bond length is 2.79 Å. In the eighth Mg site, Mg(8) is bonded in a 2-coordinate geometry to one Mg(12), one Mg(9), one Co(12), and one Co(9) atom. The Mg(8)-Mg(12) bond length is 2.23 Å. The Mg(8)-Mg(9) bond length is 1.57 Å. The Mg(8)-Co(12) bond length is 3.01 Å. The Mg(8)-Co(9) bond length is 2.56 Å. In the ninth Mg site, Mg(9) is bonded in a 4-coordinate geometry to one Mg(12), one Mg(5), one Mg(8), and one Co(4) atom. The Mg(9)-Mg(12) bond length is 2.00 Å. The Mg(9)-Co(4) bond length is 2.91 Å. In the tenth Mg site, Mg(10) is bonded in a 6-coordinate geometry to one Mg(11), one Mg(6), one Mg(7), one Co(10), one Co(2), and one Co(3) atom. The Mg(10)-Mg(11) bond length is 2.00 Å. The Mg(10)-Co(10) bond length is 3.18 Å. The Mg(10)-Co(2) bond length is 3.43 Å. The Mg(10)-Co(3) bond length is 3.31 Å. In the eleventh Mg site, Mg(11) is bonded in a 4-coordinate geometry to one Mg(10), one Mg(6), one Mg(7), and one Co(2) atom. The Mg(11)-Co(2) bond length is 3.04 Å. In the twelfth Mg site, Mg(12) is bonded in a 6-coordinate geometry to one Mg(5), one Mg(8), one Mg(9), one Co(1), one Co(12), and one Co(4) atom. The Mg(12)-Co(1) bond length is 3.43 Å. The Mg(12)-Co(12) bond length is 3.18 Å. The Mg(12)-Co(4) bond length is 3.31 Å. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Mg(1), one Mg(12), one Mg(6), and one Mg(7) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Mg(10), one Mg(11), one Mg(2), and one Mg(5) atom. In the third Co site, Co(3) is bonded in a single-bond geometry to one Mg(10), one Mg(3), and one Mg(5) atom. In the fourth Co site, Co(4) is bonded in a single-bond geometry to one Mg(12), one Mg(4), one Mg(6), one Mg(7), and one Mg(9) atom. In the fifth Co site, Co(5) is bonded in a distorted single-bond geometry to one Mg(3), one Co(10), and one Co(11) atom. The Co(5)-Co(10) bond length is 2.19 Å. The Co(5)-Co(11) bond length is 2.19 Å. In the sixth Co site, Co(6) is bonded in a 1-coordinate geometry to one Mg(4), one Co(12), and one Co(9) atom. The Co(6)-Co(12) bond length is 2.19 Å. The Co(6)-Co(9) bond length is 1.52 Å. In the seventh Co site, Co(7) is bonded in a single-bond geometry to one Mg(1), one Co(12), and one Co(9) atom. The Co(7)-Co(12) bond length is 2.20 Å. The Co(7)-Co(9) bond length is 2.20 Å. In the eighth Co site, Co(8) is bonded in a 1-coordinate geometry to one Mg(2), one Co(10), and one Co(11) atom. The Co(8)-Co(10) bond length is 2.20 Å. The Co(8)-Co(11) bond length is 1.54 Å. In the ninth Co site, Co(9) is bonded in a 5-coordinate geometry to one Mg(5), one Mg(8), one Co(12), one Co(6), and one Co(7) atom. The Co(9)-Co(12) bond length is 2.00 Å. In the tenth Co site, Co(10) is bonded in a 6-coordinate geometry to one Mg(10), one Mg(6), one Mg(7), one Co(11), one Co(5), and one Co(8) atom. The Co(10)-Co(11) bond length is 2.00 Å. In the eleventh Co site, Co(11) is bonded in a 5-coordinate geometry to one Mg(6), one Mg(7), one Co(10), one Co(5), and one Co(8) atom. In the twelfth Co site, Co(12) is bonded in a 6-coordinate geometry to one Mg(12), one Mg(5), one Mg(8), one Co(6), one Co(7), and one Co(9) atom.