# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63903300 _cell_length_b 8.88647071 _cell_length_c 10.43526589 _cell_angle_alpha 88.49891288 _cell_angle_beta 89.91204618 _cell_angle_gamma 89.78821108 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 615.43923645 _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 0.25941700 0.91937700 0.61066000 1.0 Na Na1 1 0.01046400 0.73360500 0.87923800 1.0 Na Na2 1 0.48917600 0.73271700 0.88100600 1.0 Na Na3 1 0.00977000 0.72981100 0.36621400 1.0 Na Na4 1 0.48847200 0.72943600 0.36470700 1.0 Na Na5 1 0.97604700 0.27788800 0.62529200 1.0 Na Na6 1 0.50704400 0.26461800 0.13013300 1.0 Na Na7 1 0.99615500 0.26264800 0.12724500 1.0 Na Na8 1 0.74017800 0.08592900 0.88473300 1.0 Na Na9 1 0.73972500 0.08737400 0.39503500 1.0 Ni Ni10 1 0.74765100 0.65207100 0.61060300 1.0 Ni Ni11 1 0.75143600 0.65414700 0.11060400 1.0 Ni Ni12 1 0.25446100 0.34682000 0.88603600 1.0 Ni Ni13 1 0.25444400 0.34575000 0.39405500 1.0 P P14 1 0.25008600 0.57991100 0.64021200 1.0 P P15 1 0.25014800 0.57838500 0.14091000 1.0 P P16 1 0.75128400 0.42053300 0.86071800 1.0 P P17 1 0.75048800 0.41849500 0.35597500 1.0 C C18 1 0.75571100 0.93246900 0.64419700 1.0 C C19 1 0.74996200 0.93519600 0.14253700 1.0 C C20 1 0.24767600 0.06619100 0.85649900 1.0 C C21 1 0.24672800 0.06372800 0.35746500 1.0 O O22 1 0.24950400 0.92372400 0.84083100 1.0 O O23 1 0.24878400 0.92128200 0.34616000 1.0 O O24 1 0.74797700 0.87379200 0.53019600 1.0 O O25 1 0.74918500 0.87791500 0.02898200 1.0 O O26 1 0.74700200 0.83740200 0.74225100 1.0 O O27 1 0.74929000 0.84002800 0.24029300 1.0 O O28 1 0.06462600 0.68325800 0.60752100 1.0 O O29 1 0.43568200 0.67961400 0.60447300 1.0 O O30 1 0.06333600 0.67600600 0.10452300 1.0 O O31 1 0.43797500 0.67413100 0.10476600 1.0 O O32 1 0.75266700 0.57067500 0.93281800 1.0 O O33 1 0.74803600 0.56746600 0.42895100 1.0 O O34 1 0.25078400 0.54579900 0.78888000 1.0 O O35 1 0.24944800 0.54448000 0.28866100 1.0 O O36 1 0.75654400 0.46022800 0.71517600 1.0 O O37 1 0.75881500 0.45592200 0.20821900 1.0 O O38 1 0.24294800 0.43219500 0.56847500 1.0 O O39 1 0.25016700 0.42803400 0.06898100 1.0 O O40 1 0.56571600 0.32285800 0.89857900 1.0 O O41 1 0.93705200 0.31955600 0.89573000 1.0 O O42 1 0.56212200 0.31932700 0.38084600 1.0 O O43 1 0.93551100 0.31844600 0.39295000 1.0 O O44 1 0.24033800 0.16100400 0.75988100 1.0 O O45 1 0.25047600 0.15857300 0.26050800 1.0 O O46 1 0.25544000 0.12746400 0.96822400 1.0 O O47 1 0.24251800 0.12289200 0.47025200 1.0 O O48 1 0.77048000 0.07337600 0.65820100 1.0 O O49 1 0.75121000 0.07777900 0.15856800 1.0