The crystal structure described by Mg14TiNiO16 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Pmmm space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra, corners with four equivalent Mg(6)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. Ti(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Ni(1) atom to form OMg5Ni octahedra that share corners with two equivalent O(2)Mg5Ti octahedra, corners with four equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(4)Mg4Ni2 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Ti(1) atom to form OMg5Ti octahedra that share corners with two equivalent O(1)Mg5Ni octahedra, corners with four equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg4Ti2 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Mg4Ni2 octahedra,  an edgeedge with one O(5)Mg4Ti2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Ni(1) atoms to form OMg4Ni2 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4TiNi octahedra, edges with four equivalent O(1)Mg5Ni octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent Ti(1) atoms to form OMg4Ti2 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4TiNi octahedra, edges with four equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Ni octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)Mg5Ti octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Ti(1), and one Ni(1) atom to form distorted OMg4TiNi octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(4)Mg4Ni2 octahedra, edges with two equivalent O(5)Mg4Ti2 octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4TiNi octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_Mg14TiNiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.640
_cell_length_c   4.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.183
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.241  0.500  1.0
  Mg  Mg3  1  0.000  0.759  0.500  1.0
  Mg  Mg4  1  0.500  0.248  0.500  1.0
  Mg  Mg5  1  0.500  0.752  0.500  1.0
  Mg  Mg6  1  0.247  0.000  0.500  1.0
  Mg  Mg7  1  0.253  0.500  0.500  1.0
  Mg  Mg8  1  0.753  0.000  0.500  1.0
  Mg  Mg9  1  0.747  0.500  0.500  1.0
  Mg  Mg10  1  0.250  0.243  0.000  1.0
  Mg  Mg11  1  0.250  0.757  0.000  1.0
  Mg  Mg12  1  0.750  0.243  0.000  1.0
  Mg  Mg13  1  0.750  0.757  0.000  1.0
  Ti  Ti14  1  0.000  0.500  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.260  0.000  0.000  1.0
  O  O17  1  0.249  0.500  0.000  1.0
  O  O18  1  0.740  0.000  0.000  1.0
  O  O19  1  0.751  0.500  0.000  1.0
  O  O20  1  0.249  0.251  0.500  1.0
  O  O21  1  0.249  0.749  0.500  1.0
  O  O22  1  0.751  0.251  0.500  1.0
  O  O23  1  0.751  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.271  0.000  1.0
  O  O29  1  0.000  0.729  0.000  1.0
  O  O30  1  0.500  0.253  0.000  1.0
  O  O31  1  0.500  0.747  0.000  1.0
[/CIF]
.
The crystal structure described by Mg14TiNiO16 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Pmmm space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra, corners with four equivalent Mg(6)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. Ti(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Ni(1) atom to form OMg5Ni octahedra that share corners with two equivalent O(2)Mg5Ti octahedra, corners with four equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(4)Mg4Ni2 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Ti(1) atom to form OMg5Ti octahedra that share corners with two equivalent O(1)Mg5Ni octahedra, corners with four equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg4Ti2 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Mg4Ni2 octahedra,  an edgeedge with one O(5)Mg4Ti2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Ni(1) atoms to form OMg4Ni2 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4TiNi octahedra, edges with four equivalent O(1)Mg5Ni octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent Ti(1) atoms to form OMg4Ti2 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4TiNi octahedra, edges with four equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Ni2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Ni octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Ti2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)Mg5Ti octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Ti(1), and one Ni(1) atom to form distorted OMg4TiNi octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4TiNi octahedra, edges with two equivalent O(4)Mg4Ni2 octahedra, edges with two equivalent O(5)Mg4Ti2 octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4TiNi octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)Mg5Ni octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_Mg14TiNiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.640
_cell_length_c   4.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.183
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.241  0.500  1.0
  Mg  Mg3  1  0.000  0.759  0.500  1.0
  Mg  Mg4  1  0.500  0.248  0.500  1.0
  Mg  Mg5  1  0.500  0.752  0.500  1.0
  Mg  Mg6  1  0.247  0.000  0.500  1.0
  Mg  Mg7  1  0.253  0.500  0.500  1.0
  Mg  Mg8  1  0.753  0.000  0.500  1.0
  Mg  Mg9  1  0.747  0.500  0.500  1.0
  Mg  Mg10  1  0.250  0.243  0.000  1.0
  Mg  Mg11  1  0.250  0.757  0.000  1.0
  Mg  Mg12  1  0.750  0.243  0.000  1.0
  Mg  Mg13  1  0.750  0.757  0.000  1.0
  Ti  Ti14  1  0.000  0.500  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.260  0.000  0.000  1.0
  O  O17  1  0.249  0.500  0.000  1.0
  O  O18  1  0.740  0.000  0.000  1.0
  O  O19  1  0.751  0.500  0.000  1.0
  O  O20  1  0.249  0.251  0.500  1.0
  O  O21  1  0.249  0.749  0.500  1.0
  O  O22  1  0.751  0.251  0.500  1.0
  O  O23  1  0.751  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.271  0.000  1.0
  O  O29  1  0.000  0.729  0.000  1.0
  O  O30  1  0.500  0.253  0.000  1.0
  O  O31  1  0.500  0.747  0.000  1.0
[/CIF]
.