# generated using pymatgen data_NiP3NO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36246398 _cell_length_b 6.36246398 _cell_length_c 6.36246400 _cell_angle_alpha 105.93399027 _cell_angle_beta 105.93399027 _cell_angle_gamma 105.93398614 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiP3NO9 _chemical_formula_sum 'Ni1 P3 N1 O9' _cell_volume 220.43758543 _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 0.00000000 0.00000000 0.00000000 1.0 P P1 1 0.07149100 0.92850900 0.50000000 1.0 P P2 1 0.50000000 0.07149100 0.92850900 1.0 P P3 1 0.92850900 0.50000000 0.07149100 1.0 N N4 1 0.50000000 0.50000000 0.50000000 1.0 O O5 1 0.06784300 0.34534200 0.05352900 1.0 O O6 1 0.05352900 0.06784300 0.34534200 1.0 O O7 1 0.34534200 0.05352900 0.06784300 1.0 O O8 1 0.65465800 0.93215700 0.94647100 1.0 O O9 1 0.93215700 0.94647100 0.65465800 1.0 O O10 1 0.94647100 0.65465800 0.93215700 1.0 O O11 1 0.65291100 0.34708900 0.00000000 1.0 O O12 1 0.00000000 0.65291100 0.34708900 1.0 O O13 1 0.34708900 0.00000000 0.65291100 1.0