# generated using pymatgen data_Ni9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92639309 _cell_length_b 5.15980242 _cell_length_c 15.80848579 _cell_angle_alpha 99.27874808 _cell_angle_beta 90.02310661 _cell_angle_gamma 106.45731571 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni9O13 _chemical_formula_sum 'Ni9 O13' _cell_volume 225.65934861 _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 Ni Ni0 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni1 1 0.64901500 0.29774500 0.04572500 1.0 Ni Ni2 1 0.35098500 0.70225500 0.95427500 1.0 Ni Ni3 1 0.74989000 0.50013300 0.41240600 1.0 Ni Ni4 1 0.25011000 0.49986700 0.58759400 1.0 Ni Ni5 1 0.93755800 0.87477000 0.12426500 1.0 Ni Ni6 1 0.06244200 0.12523000 0.87573500 1.0 Ni Ni7 1 0.99677700 0.99379600 0.33460400 1.0 Ni Ni8 1 0.00322300 0.00620400 0.66539600 1.0 O O9 1 0.00000000 0.00000000 0.00000000 1.0 O O10 1 0.88033800 0.76086200 0.23102900 1.0 O O11 1 0.11966200 0.23913800 0.76897100 1.0 O O12 1 0.30075200 0.60087300 0.07217700 1.0 O O13 1 0.69924800 0.39912700 0.92782300 1.0 O O14 1 0.56583000 0.13235500 0.14900000 1.0 O O15 1 0.43417000 0.86764500 0.85100000 1.0 O O16 1 0.60887000 0.21823500 0.30728500 1.0 O O17 1 0.39113000 0.78176500 0.69271500 1.0 O O18 1 0.38315200 0.76734600 0.38592700 1.0 O O19 1 0.61684800 0.23265400 0.61407300 1.0 O O20 1 0.12529800 0.25070400 0.45614900 1.0 O O21 1 0.87470200 0.74929600 0.54385100 1.0