The material described by Mg14HfFeO16 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 Fe(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 Hf(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 Hf(1)O6 octahedra, edges with two equivalent Fe(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 0-4°. 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 Fe(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Hf(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 Hf(1)O6 octahedra,  an edgeedge with one Fe(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 0-11°. Hf(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form HfO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Fe(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. Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Fe(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 Fe(1) atom to form OMg5Fe octahedra that share corners with two equivalent O(2)HfMg5 octahedra, corners with four equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(4)Mg4Fe2 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 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Hf(1) atom to form OHfMg5 octahedra that share corners with two equivalent O(1)Mg5Fe octahedra, corners with four equivalent O(2)HfMg5 octahedra, edges with two equivalent O(5)Hf2Mg4 octahedra, edges with two equivalent O(8)HfMg4Fe 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 0-3°. 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(5)Hf2Mg4 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(5)Hf2Mg4 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)HfMg4Fe octahedra, edges with four equivalent O(1)Mg5Fe 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 Hf(1) atoms to form OHf2Mg4 octahedra that share corners with two equivalent O(5)Hf2Mg4 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)HfMg4Fe octahedra, edges with four equivalent O(2)HfMg5 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)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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)Hf2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)HfMg5 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 Hf(1), and one Fe(1) atom to form OHfMg4Fe octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(5)Hf2Mg4 octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(4)Mg4Fe2 octahedra, edges with two equivalent O(1)Mg5Fe 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)HfMg4Fe octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(1)Mg5Fe 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 0-8°. is represented by the CIF card [CIF]
data_HfMg14FeO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.648
_cell_length_b   8.690
_cell_length_c   4.289
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.331
_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
  Hf  Hf0  1  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.234  0.500  1.0
  Mg  Mg4  1  0.000  0.766  0.500  1.0
  Mg  Mg5  1  0.500  0.248  0.500  1.0
  Mg  Mg6  1  0.500  0.752  0.500  1.0
  Mg  Mg7  1  0.250  0.000  0.500  1.0
  Mg  Mg8  1  0.258  0.500  0.500  1.0
  Mg  Mg9  1  0.750  0.000  0.500  1.0
  Mg  Mg10  1  0.742  0.500  0.500  1.0
  Mg  Mg11  1  0.254  0.241  0.000  1.0
  Mg  Mg12  1  0.254  0.759  0.000  1.0
  Mg  Mg13  1  0.746  0.241  0.000  1.0
  Mg  Mg14  1  0.746  0.759  0.000  1.0
  Fe  Fe15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.265  0.000  0.000  1.0
  O  O17  1  0.255  0.500  0.000  1.0
  O  O18  1  0.735  0.000  0.000  1.0
  O  O19  1  0.745  0.500  0.000  1.0
  O  O20  1  0.249  0.250  0.500  1.0
  O  O21  1  0.249  0.750  0.500  1.0
  O  O22  1  0.751  0.250  0.500  1.0
  O  O23  1  0.751  0.750  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  0.264  0.000  1.0
  O  O29  1  0.000  0.736  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 material described by Mg14HfFeO16 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 Fe(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 Hf(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 Hf(1)O6 octahedra, edges with two equivalent Fe(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 0-4°. 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 Fe(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Hf(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 Hf(1)O6 octahedra,  an edgeedge with one Fe(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 0-11°. Hf(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form HfO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Fe(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. Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Fe(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 Fe(1) atom to form OMg5Fe octahedra that share corners with two equivalent O(2)HfMg5 octahedra, corners with four equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(4)Mg4Fe2 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 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Hf(1) atom to form OHfMg5 octahedra that share corners with two equivalent O(1)Mg5Fe octahedra, corners with four equivalent O(2)HfMg5 octahedra, edges with two equivalent O(5)Hf2Mg4 octahedra, edges with two equivalent O(8)HfMg4Fe 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 0-3°. 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(5)Hf2Mg4 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(5)Hf2Mg4 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)HfMg4Fe octahedra, edges with four equivalent O(1)Mg5Fe 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 Hf(1) atoms to form OHf2Mg4 octahedra that share corners with two equivalent O(5)Hf2Mg4 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)HfMg4Fe octahedra, edges with four equivalent O(2)HfMg5 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)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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)Hf2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)HfMg5 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 Hf(1), and one Fe(1) atom to form OHfMg4Fe octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)HfMg4Fe octahedra, edges with two equivalent O(5)Hf2Mg4 octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(4)Mg4Fe2 octahedra, edges with two equivalent O(1)Mg5Fe 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)HfMg4Fe octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(2)HfMg5 octahedra, edges with two equivalent O(1)Mg5Fe 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 0-8°. is represented by the CIF card [CIF]
data_HfMg14FeO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.648
_cell_length_b   8.690
_cell_length_c   4.289
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.331
_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
  Hf  Hf0  1  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.234  0.500  1.0
  Mg  Mg4  1  0.000  0.766  0.500  1.0
  Mg  Mg5  1  0.500  0.248  0.500  1.0
  Mg  Mg6  1  0.500  0.752  0.500  1.0
  Mg  Mg7  1  0.250  0.000  0.500  1.0
  Mg  Mg8  1  0.258  0.500  0.500  1.0
  Mg  Mg9  1  0.750  0.000  0.500  1.0
  Mg  Mg10  1  0.742  0.500  0.500  1.0
  Mg  Mg11  1  0.254  0.241  0.000  1.0
  Mg  Mg12  1  0.254  0.759  0.000  1.0
  Mg  Mg13  1  0.746  0.241  0.000  1.0
  Mg  Mg14  1  0.746  0.759  0.000  1.0
  Fe  Fe15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.265  0.000  0.000  1.0
  O  O17  1  0.255  0.500  0.000  1.0
  O  O18  1  0.735  0.000  0.000  1.0
  O  O19  1  0.745  0.500  0.000  1.0
  O  O20  1  0.249  0.250  0.500  1.0
  O  O21  1  0.249  0.750  0.500  1.0
  O  O22  1  0.751  0.250  0.500  1.0
  O  O23  1  0.751  0.750  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  0.264  0.000  1.0
  O  O29  1  0.000  0.736  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]
.