# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19341900 _cell_length_b 8.83324459 _cell_length_c 20.04545142 _cell_angle_alpha 90.06318483 _cell_angle_beta 90.01856176 _cell_angle_gamma 91.40735513 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na15 Ni6 P6 C6 O42' _cell_volume 919.30186672 _cell_formula_units_Z 3 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 0.22415200 0.08232900 0.41621300 1.0 Na Na1 1 0.74724200 0.26498600 0.67092200 1.0 Na Na2 1 0.74749100 0.26426700 0.82938500 1.0 Na Na3 1 0.74799300 0.26394100 0.00371100 1.0 Na Na4 1 0.75131000 0.25840200 0.16232800 1.0 Na Na5 1 0.74591100 0.26684600 0.33622100 1.0 Na Na6 1 0.74361200 0.27156000 0.49749900 1.0 Na Na7 1 0.25395400 0.73420900 0.99736200 1.0 Na Na8 1 0.25423600 0.73293800 0.66366800 1.0 Na Na9 1 0.25233900 0.73531700 0.32941500 1.0 Na Na10 1 0.25639700 0.72855900 0.50235400 1.0 Na Na11 1 0.25427800 0.73392100 0.83617600 1.0 Na Na12 1 0.24861900 0.74135200 0.17102700 1.0 Na Na13 1 0.77572800 0.91794700 0.58345200 1.0 Na Na14 1 0.77613500 0.91893200 0.91690800 1.0 Ni Ni15 1 0.21931500 0.34823000 0.24940400 1.0 Ni Ni16 1 0.22086300 0.34704500 0.91666000 1.0 Ni Ni17 1 0.22102600 0.34620600 0.58367500 1.0 Ni Ni18 1 0.78077000 0.65176200 0.08392100 1.0 Ni Ni19 1 0.77908600 0.65348800 0.41620200 1.0 Ni Ni20 1 0.78096800 0.65241900 0.75005500 1.0 P P21 1 0.28294900 0.41721600 0.41645000 1.0 P P22 1 0.28064100 0.41849300 0.75025800 1.0 P P23 1 0.28053400 0.41898800 0.08328900 1.0 P P24 1 0.71704800 0.58260100 0.91682900 1.0 P P25 1 0.71714600 0.58269600 0.58341200 1.0 P P26 1 0.71997400 0.58136600 0.24976700 1.0 C C27 1 0.28605900 0.06782700 0.24959800 1.0 C C28 1 0.28630500 0.06368400 0.91670300 1.0 C C29 1 0.28709500 0.06242300 0.58334000 1.0 C C30 1 0.71311500 0.93748000 0.41662200 1.0 C C31 1 0.71386200 0.93207700 0.08372900 1.0 C C32 1 0.71407200 0.93345700 0.75003300 1.0 O O33 1 0.68301500 0.07304300 0.08254500 1.0 O O34 1 0.68165800 0.07433700 0.74989600 1.0 O O35 1 0.68441400 0.08199500 0.41725100 1.0 O O36 1 0.06040400 0.12870200 0.25018800 1.0 O O37 1 0.05972900 0.12119700 0.58227100 1.0 O O38 1 0.05942100 0.12256000 0.91668400 1.0 O O39 1 0.47771000 0.16650900 0.24920800 1.0 O O40 1 0.48576300 0.15601100 0.58378100 1.0 O O41 1 0.48487400 0.15732300 0.91667300 1.0 O O42 1 0.20831600 0.32507400 0.02058800 1.0 O O43 1 0.20812700 0.32497700 0.14575000 1.0 O O44 1 0.20831700 0.32444300 0.81294400 1.0 O O45 1 0.21098400 0.31777200 0.35441200 1.0 O O46 1 0.20962100 0.31805300 0.47824600 1.0 O O47 1 0.20762100 0.32433600 0.68762500 1.0 O O48 1 0.85752700 0.42671100 0.24939400 1.0 O O49 1 0.85802600 0.43096400 0.58387700 1.0 O O50 1 0.85623200 0.43032400 0.91677500 1.0 O O51 1 0.57987500 0.45370800 0.08301800 1.0 O O52 1 0.58005400 0.45047300 0.41676300 1.0 O O53 1 0.57861400 0.45385400 0.75032200 1.0 O O54 1 0.42056500 0.54635300 0.25000900 1.0 O O55 1 0.41954900 0.55008800 0.91676600 1.0 O O56 1 0.42002200 0.54929500 0.58318500 1.0 O O57 1 0.14295500 0.57347100 0.08366200 1.0 O O58 1 0.14145200 0.57237000 0.75017900 1.0 O O59 1 0.14230300 0.56905900 0.41610400 1.0 O O60 1 0.79203800 0.67524100 0.18720500 1.0 O O61 1 0.79229600 0.67515700 0.31238800 1.0 O O62 1 0.78920600 0.68251400 0.64531100 1.0 O O63 1 0.78955700 0.68206200 0.97877100 1.0 O O64 1 0.79002100 0.68183400 0.52158800 1.0 O O65 1 0.79001700 0.68220400 0.85511900 1.0 O O66 1 0.52220100 0.83349400 0.08410900 1.0 O O67 1 0.51452700 0.84385800 0.41617300 1.0 O O68 1 0.52226100 0.83471600 0.75006900 1.0 O O69 1 0.93958600 0.87131000 0.08303900 1.0 O O70 1 0.94047100 0.87883600 0.41773700 1.0 O O71 1 0.93981400 0.87361400 0.75013400 1.0 O O72 1 0.31550000 0.91793700 0.58266400 1.0 O O73 1 0.31689600 0.92689000 0.25088000 1.0 O O74 1 0.31518700 0.91933300 0.91677500 1.0