# generated using pymatgen data_NaNi2P2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37383200 _cell_length_b 7.34915300 _cell_length_c 14.12923100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2P2O9 _chemical_formula_sum 'Na4 Ni8 P8 O36' _cell_volume 661.84520485 _cell_formula_units_Z 4 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 Na Na0 1 0.75000000 0.88881800 0.78270300 1.0 Na Na1 1 0.75000000 0.61118200 0.28270300 1.0 Na Na2 1 0.25000000 0.38881800 0.71729700 1.0 Na Na3 1 0.25000000 0.11118200 0.21729700 1.0 Ni Ni4 1 0.75000000 0.35619900 0.87425200 1.0 Ni Ni5 1 0.25000000 0.64380100 0.12574800 1.0 Ni Ni6 1 0.25000000 0.85619900 0.62574800 1.0 Ni Ni7 1 0.75000000 0.14380100 0.37425200 1.0 Ni Ni8 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni11 1 0.00000000 0.00000000 0.00000000 1.0 P P12 1 0.25000000 0.36612500 0.93707900 1.0 P P13 1 0.75000000 0.63387500 0.06292100 1.0 P P14 1 0.75000000 0.86612500 0.56292100 1.0 P P15 1 0.25000000 0.13387500 0.43707900 1.0 P P16 1 0.75000000 0.40058800 0.68949500 1.0 P P17 1 0.75000000 0.09941200 0.18949500 1.0 P P18 1 0.25000000 0.90058800 0.81050500 1.0 P P19 1 0.25000000 0.59941200 0.31050500 1.0 O O20 1 0.05065800 0.59384800 0.37082300 1.0 O O21 1 0.55065800 0.40615200 0.62917700 1.0 O O22 1 0.94934200 0.09384800 0.12917700 1.0 O O23 1 0.44934200 0.90615200 0.87082300 1.0 O O24 1 0.94934200 0.40615200 0.62917700 1.0 O O25 1 0.44934200 0.59384800 0.37082300 1.0 O O26 1 0.05065800 0.90615200 0.87082300 1.0 O O27 1 0.55065800 0.09384800 0.12917700 1.0 O O28 1 0.25000000 0.31945600 0.48910300 1.0 O O29 1 0.75000000 0.68054400 0.51089700 1.0 O O30 1 0.75000000 0.81945600 0.01089700 1.0 O O31 1 0.25000000 0.18054400 0.98910300 1.0 O O32 1 0.75000000 0.13712300 0.95008800 1.0 O O33 1 0.25000000 0.86287700 0.04991200 1.0 O O34 1 0.25000000 0.63712300 0.54991200 1.0 O O35 1 0.75000000 0.36287700 0.45008800 1.0 O O36 1 0.75000000 0.22556500 0.75367900 1.0 O O37 1 0.25000000 0.77443500 0.24632100 1.0 O O38 1 0.25000000 0.72556500 0.74632100 1.0 O O39 1 0.75000000 0.27443500 0.25367900 1.0 O O40 1 0.43678400 0.12402300 0.36750800 1.0 O O41 1 0.93678400 0.87597700 0.63249200 1.0 O O42 1 0.56321600 0.62402300 0.13249200 1.0 O O43 1 0.06321600 0.37597700 0.86750800 1.0 O O44 1 0.56321600 0.87597700 0.63249200 1.0 O O45 1 0.06321600 0.12402300 0.36750800 1.0 O O46 1 0.43678400 0.37597700 0.86750800 1.0 O O47 1 0.93678400 0.62402300 0.13249200 1.0 O O48 1 0.75000000 0.47216400 0.99571400 1.0 O O49 1 0.25000000 0.04693800 0.72963400 1.0 O O50 1 0.25000000 0.45306200 0.22963400 1.0 O O51 1 0.75000000 0.54693800 0.77036600 1.0 O O52 1 0.75000000 0.02783600 0.49571400 1.0 O O53 1 0.25000000 0.97216400 0.50428600 1.0 O O54 1 0.25000000 0.52783600 0.00428600 1.0 O O55 1 0.75000000 0.95306200 0.27036600 1.0