# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43855900 _cell_length_b 8.44879718 _cell_length_c 10.11685439 _cell_angle_alpha 107.56286117 _cell_angle_beta 107.47965206 _cell_angle_gamma 103.89344008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 610.98777182 _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 0.77629800 0.26313700 0.27104300 1.0 Na Na1 1 0.01098200 0.01819200 0.26288600 1.0 Na Na2 1 0.22370200 0.73686300 0.72895700 1.0 Na Na3 1 0.98901800 0.98180800 0.73711400 1.0 Na Na4 1 0.44202200 0.19387400 0.91637400 1.0 Na Na5 1 0.55797800 0.80612600 0.08362600 1.0 Na Na6 1 0.49901400 0.51339000 0.26918500 1.0 Na Na7 1 0.25358100 0.74618500 0.25963000 1.0 Na Na8 1 0.50098600 0.48661000 0.73081500 1.0 Na Na9 1 0.74641900 0.25381500 0.74037000 1.0 Ni Ni10 1 0.93586900 0.68697600 0.34600400 1.0 Ni Ni11 1 0.06413100 0.31302400 0.65399600 1.0 Ni Ni12 1 0.43912200 0.18768200 0.34641200 1.0 Ni Ni13 1 0.56087800 0.81231800 0.65358800 1.0 P P14 1 0.80583100 0.55548900 0.58139800 1.0 P P15 1 0.30606900 0.05642500 0.58089600 1.0 P P16 1 0.19416900 0.44451100 0.41860200 1.0 P P17 1 0.69393100 0.94357500 0.41910400 1.0 C C18 1 0.76183700 0.51197000 0.06426400 1.0 C C19 1 0.23816300 0.48803000 0.93573600 1.0 C C20 1 0.26482500 0.01426900 0.06442800 1.0 C C21 1 0.73517500 0.98573100 0.93557200 1.0 O O22 1 0.81635500 0.06912400 0.07830300 1.0 O O23 1 0.77139600 0.83544000 0.31854500 1.0 O O24 1 0.15964700 0.91112200 0.43034400 1.0 O O25 1 0.06485700 0.31293200 0.45501400 1.0 O O26 1 0.93514300 0.68706800 0.54498600 1.0 O O27 1 0.84035300 0.08887800 0.56965600 1.0 O O28 1 0.91360700 0.47469100 0.67631600 1.0 O O29 1 0.22860400 0.16456000 0.68145500 1.0 O O30 1 0.41171200 0.97794700 0.68147800 1.0 O O31 1 0.78342100 0.03433000 0.83931000 1.0 O O32 1 0.28983800 0.53910100 0.84064100 1.0 O O33 1 0.09729300 0.34552100 0.87538900 1.0 O O34 1 0.59086600 0.84362700 0.87602100 1.0 O O35 1 0.18364500 0.93087600 0.92169700 1.0 O O36 1 0.32705500 0.57418200 0.07830400 1.0 O O37 1 0.90270700 0.65447900 0.12461100 1.0 O O38 1 0.40913400 0.15637300 0.12397900 1.0 O O39 1 0.21657900 0.96567000 0.16069000 1.0 O O40 1 0.71016200 0.46089900 0.15935900 1.0 O O41 1 0.08639300 0.52530900 0.32368400 1.0 O O42 1 0.27629300 0.33902200 0.32367900 1.0 O O43 1 0.58828800 0.02205300 0.31852200 1.0 O O44 1 0.66065200 0.40924000 0.42887100 1.0 O O45 1 0.56214500 0.81394500 0.45340800 1.0 O O46 1 0.43785500 0.18605500 0.54659200 1.0 O O47 1 0.33934800 0.59076000 0.57112900 1.0 O O48 1 0.72370700 0.66097800 0.67632100 1.0 O O49 1 0.67294500 0.42581800 0.92169600 1.0