# generated using pymatgen data_Ni15O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27678538 _cell_length_b 7.27678538 _cell_length_c 7.27678538 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni15O16 _chemical_formula_sum 'Ni15 O16' _cell_volume 296.61752598 _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 0.24591800 0.75408200 0.00000000 1.0 Ni Ni1 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni2 1 0.49183500 0.24591800 0.24591800 1.0 Ni Ni3 1 0.75408200 0.00000000 0.24591800 1.0 Ni Ni4 1 0.00000000 0.75408200 0.24591800 1.0 Ni Ni5 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.24591800 0.49183500 0.24591800 1.0 Ni Ni7 1 0.24591800 0.24591800 0.49183500 1.0 Ni Ni8 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.50816500 0.75408200 0.75408200 1.0 Ni Ni10 1 0.75408200 0.75408200 0.50816500 1.0 Ni Ni11 1 0.75408200 0.50816500 0.75408200 1.0 Ni Ni12 1 0.00000000 0.24591800 0.75408200 1.0 Ni Ni13 1 0.24591800 0.00000000 0.75408200 1.0 Ni Ni14 1 0.75408200 0.24591800 0.00000000 1.0 O O15 1 0.73084100 0.73084100 0.00000000 1.0 O O16 1 0.00000000 0.50000000 0.00000000 1.0 O O17 1 0.00000000 0.26915900 0.26915900 1.0 O O18 1 0.26915900 0.26915900 0.00000000 1.0 O O19 1 0.26915900 0.00000000 0.26915900 1.0 O O20 1 0.50000000 0.75000000 0.25000000 1.0 O O21 1 0.50000000 0.50000000 0.50000000 1.0 O O22 1 0.75000000 0.50000000 0.25000000 1.0 O O23 1 0.75000000 0.25000000 0.50000000 1.0 O O24 1 0.00000000 0.00000000 0.50000000 1.0 O O25 1 0.00000000 0.73084100 0.73084100 1.0 O O26 1 0.25000000 0.75000000 0.50000000 1.0 O O27 1 0.25000000 0.50000000 0.75000000 1.0 O O28 1 0.50000000 0.25000000 0.75000000 1.0 O O29 1 0.50000000 0.00000000 0.00000000 1.0 O O30 1 0.73084100 0.00000000 0.73084100 1.0