# generated using pymatgen data_MgNi4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35148800 _cell_length_b 8.13890908 _cell_length_c 8.30078348 _cell_angle_alpha 92.18711539 _cell_angle_beta 90.26318461 _cell_angle_gamma 90.11388190 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi4O9 _chemical_formula_sum 'Mg2 Ni8 O18' _cell_volume 361.27486777 _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 Mg Mg0 1 0.76450300 0.75364800 0.73866600 1.0 Mg Mg1 1 0.23588600 0.25672500 0.23734700 1.0 Ni Ni2 1 0.41108600 0.66584100 0.46546700 1.0 Ni Ni3 1 0.59961800 0.53007200 0.16394500 1.0 Ni Ni4 1 0.40422400 0.03135700 0.66278400 1.0 Ni Ni5 1 0.58390200 0.16302500 0.96850300 1.0 Ni Ni6 1 0.46517500 0.83595800 0.03306600 1.0 Ni Ni7 1 0.44921200 0.46938100 0.84223500 1.0 Ni Ni8 1 0.54579800 0.33668700 0.53108600 1.0 Ni Ni9 1 0.54530500 0.96996300 0.34010400 1.0 O O10 1 0.49467300 0.75338700 0.24155700 1.0 O O11 1 0.51976000 0.25409000 0.74583300 1.0 O O12 1 0.87073300 0.10999600 0.33824700 1.0 O O13 1 0.87499400 0.25329400 0.41989200 1.0 O O14 1 0.89821000 0.23340900 0.09624100 1.0 O O15 1 0.90502800 0.38423200 0.17179700 1.0 O O16 1 0.09449400 0.88914000 0.66386200 1.0 O O17 1 0.09528000 0.74088800 0.58329300 1.0 O O18 1 0.13059100 0.75376400 0.92838900 1.0 O O19 1 0.12325300 0.60841000 0.85131200 1.0 O O20 1 0.62515000 0.64852200 0.95367900 1.0 O O21 1 0.58057200 0.94619000 0.85589500 1.0 O O22 1 0.57003300 0.54781700 0.64421600 1.0 O O23 1 0.58812100 0.86343700 0.53850400 1.0 O O24 1 0.37702200 0.14737500 0.45117000 1.0 O O25 1 0.41266400 0.04216400 0.14031500 1.0 O O26 1 0.42109600 0.44945500 0.35301200 1.0 O O27 1 0.41361400 0.36177300 0.03958100 1.0