# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63499000 _cell_length_b 8.93791700 _cell_length_c 10.39800630 _cell_angle_alpha 88.81034730 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 616.49994696 _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 Na Na0 1 0.75000000 0.91363400 0.85612200 1.0 Na Na1 1 0.99380300 0.74336100 0.61677000 1.0 Na Na2 1 0.50619700 0.74336100 0.61677000 1.0 Na Na3 1 0.98694000 0.73522600 0.13308900 1.0 Na Na4 1 0.51306000 0.73522600 0.13308900 1.0 Na Na5 1 0.49380300 0.25663900 0.38323000 1.0 Na Na6 1 0.00619700 0.25663900 0.38323000 1.0 Na Na7 1 0.48694000 0.26477400 0.86691100 1.0 Na Na8 1 0.01306000 0.26477400 0.86691100 1.0 Na Na9 1 0.25000000 0.08636600 0.14387800 1.0 Ni Ni10 1 0.25000000 0.64509800 0.35810100 1.0 Ni Ni11 1 0.25000000 0.65108500 0.85980800 1.0 Ni Ni12 1 0.75000000 0.35490200 0.64189900 1.0 Ni Ni13 1 0.75000000 0.34891500 0.14019200 1.0 P P14 1 0.75000000 0.57678300 0.39290200 1.0 P P15 1 0.75000000 0.58303400 0.89434300 1.0 P P16 1 0.25000000 0.42321700 0.60709800 1.0 P P17 1 0.25000000 0.41696600 0.10565700 1.0 C C18 1 0.25000000 0.92700100 0.38370300 1.0 C C19 1 0.25000000 0.93193400 0.89594700 1.0 C C20 1 0.75000000 0.07299900 0.61629700 1.0 C C21 1 0.75000000 0.06806600 0.10405300 1.0 O O22 1 0.75000000 0.93069100 0.61365600 1.0 O O23 1 0.75000000 0.92690200 0.08523900 1.0 O O24 1 0.25000000 0.85928600 0.27256200 1.0 O O25 1 0.25000000 0.87418300 0.78296300 1.0 O O26 1 0.25000000 0.83887300 0.48399500 1.0 O O27 1 0.25000000 0.83711400 0.99391400 1.0 O O28 1 0.93827800 0.67007700 0.35575100 1.0 O O29 1 0.56172200 0.67007700 0.35575100 1.0 O O30 1 0.93643100 0.68084200 0.85719000 1.0 O O31 1 0.56356900 0.68084200 0.85719000 1.0 O O32 1 0.25000000 0.57645200 0.67436100 1.0 O O33 1 0.25000000 0.56743500 0.17575500 1.0 O O34 1 0.75000000 0.54925200 0.54267000 1.0 O O35 1 0.75000000 0.55086000 0.04298600 1.0 O O36 1 0.25000000 0.45074800 0.45733000 1.0 O O37 1 0.25000000 0.44914000 0.95701400 1.0 O O38 1 0.75000000 0.42354800 0.32563900 1.0 O O39 1 0.75000000 0.43256500 0.82424500 1.0 O O40 1 0.43827800 0.32992300 0.64424900 1.0 O O41 1 0.06172200 0.32992300 0.64424900 1.0 O O42 1 0.43643100 0.31915800 0.14281000 1.0 O O43 1 0.06356900 0.31915800 0.14281000 1.0 O O44 1 0.75000000 0.16112700 0.51600500 1.0 O O45 1 0.75000000 0.16288600 0.00608600 1.0 O O46 1 0.75000000 0.14071400 0.72743800 1.0 O O47 1 0.75000000 0.12581700 0.21703700 1.0 O O48 1 0.25000000 0.06930900 0.38634400 1.0 O O49 1 0.25000000 0.07309800 0.91476100 1.0