# generated using pymatgen data_Mg14NbNiO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62110336 _cell_length_b 8.67055198 _cell_length_c 4.24682953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14NbNiO16 _chemical_formula_sum 'Mg14 Nb1 Ni1 O16' _cell_volume 317.44933867 _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 0.50000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.23504757 0.50000000 1.0 Mg Mg3 1 0.00000000 0.76495243 0.50000000 1.0 Mg Mg4 1 0.50000000 0.24692022 0.50000000 1.0 Mg Mg5 1 0.50000000 0.75307978 0.50000000 1.0 Mg Mg6 1 0.24792197 0.00000000 0.50000000 1.0 Mg Mg7 1 0.25834191 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75207803 0.00000000 0.50000000 1.0 Mg Mg9 1 0.74165809 0.50000000 0.50000000 1.0 Mg Mg10 1 0.25112734 0.24077574 0.00000000 1.0 Mg Mg11 1 0.25112734 0.75922426 0.00000000 1.0 Mg Mg12 1 0.74887266 0.24077574 0.00000000 1.0 Mg Mg13 1 0.74887266 0.75922426 0.00000000 1.0 Nb Nb14 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.26687220 0.00000000 0.00000000 1.0 O O17 1 0.25564856 0.50000000 0.00000000 1.0 O O18 1 0.73312780 0.00000000 0.00000000 1.0 O O19 1 0.74435144 0.50000000 0.00000000 1.0 O O20 1 0.24815185 0.25131493 0.50000000 1.0 O O21 1 0.24815185 0.74868507 0.50000000 1.0 O O22 1 0.75184815 0.25131493 0.50000000 1.0 O O23 1 0.75184815 0.74868507 0.50000000 1.0 O O24 1 0.00000000 0.00000000 0.50000000 1.0 O O25 1 0.00000000 0.50000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.50000000 1.0 O O27 1 0.50000000 0.50000000 0.50000000 1.0 O O28 1 0.00000000 0.25488619 0.00000000 1.0 O O29 1 0.00000000 0.74511381 0.00000000 1.0 O O30 1 0.50000000 0.25373812 0.00000000 1.0 O O31 1 0.50000000 0.74626188 0.00000000 1.0