# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56776100 _cell_length_b 10.20654250 _cell_length_c 10.43895233 _cell_angle_alpha 118.99777366 _cell_angle_beta 89.99737642 _cell_angle_gamma 90.29194384 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 612.03211208 _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 0.48802000 0.26905000 0.26880100 1.0 Na Na1 1 0.01177400 0.26855900 0.26828800 1.0 Na Na2 1 0.99608000 0.73634200 0.24071100 1.0 Na Na3 1 0.50620600 0.73474500 0.23753600 1.0 Na Na4 1 0.74020800 0.91319500 0.06276500 1.0 Na Na5 1 0.74070200 0.91687300 0.57258100 1.0 Na Na6 1 0.25847800 0.07880800 0.92741400 1.0 Na Na7 1 0.01146200 0.26717400 0.75277900 1.0 Na Na8 1 0.48637400 0.26708600 0.75261100 1.0 Na Na9 1 0.97520600 0.72482000 0.73835200 1.0 Ni Ni10 1 0.75039000 0.34490700 0.06216500 1.0 Ni Ni11 1 0.25379900 0.65470200 0.44193400 1.0 Ni Ni12 1 0.75039700 0.34780900 0.56209300 1.0 Ni Ni13 1 0.25291300 0.65520900 0.93454800 1.0 P P14 1 0.24950200 0.41923700 0.06912800 1.0 P P15 1 0.75081600 0.57850000 0.43000600 1.0 P P16 1 0.25190100 0.42611100 0.57177500 1.0 P P17 1 0.75041300 0.58126400 0.93443900 1.0 C C18 1 0.24666600 0.93617600 0.11048100 1.0 C C19 1 0.24818700 0.93046400 0.61120300 1.0 C C20 1 0.74980400 0.06593300 0.38961200 1.0 C C21 1 0.75521500 0.06633200 0.88747900 1.0 O O22 1 0.74809200 0.12332200 0.03004000 1.0 O O23 1 0.06370600 0.31627900 0.05394100 1.0 O O24 1 0.43587200 0.31846900 0.05506100 1.0 O O25 1 0.75139200 0.42972000 0.28380800 1.0 O O26 1 0.25072800 0.46094300 0.44080800 1.0 O O27 1 0.75704700 0.54330200 0.06312100 1.0 O O28 1 0.24939500 0.56712900 0.21553700 1.0 O O29 1 0.93720100 0.68176900 0.44624200 1.0 O O30 1 0.56494900 0.67821000 0.44199300 1.0 O O31 1 0.25023400 0.84152500 0.16054300 1.0 O O32 1 0.24258000 0.83868300 0.66348700 1.0 O O33 1 0.25541500 0.86838400 0.46913000 1.0 O O34 1 0.75102500 0.92303600 0.30815100 1.0 O O35 1 0.76800000 0.92590700 0.80384200 1.0 O O36 1 0.24899900 0.07805800 0.19325400 1.0 O O37 1 0.24888100 0.07291000 0.69400400 1.0 O O38 1 0.74931900 0.12682500 0.53214500 1.0 O O39 1 0.74891700 0.15600100 0.33417000 1.0 O O40 1 0.74790000 0.16096600 0.83641800 1.0 O O41 1 0.06354500 0.32443300 0.55272400 1.0 O O42 1 0.43913200 0.32670800 0.55495200 1.0 O O43 1 0.74849100 0.43384000 0.78734600 1.0 O O44 1 0.24953000 0.45436400 0.93889100 1.0 O O45 1 0.75647000 0.54031600 0.55695000 1.0 O O46 1 0.24696600 0.57230400 0.71783800 1.0 O O47 1 0.56171200 0.68170900 0.95905400 1.0 O O48 1 0.93750000 0.68201900 0.94784500 1.0 O O49 1 0.24264300 0.87924700 0.96887100 1.0