# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38007700 _cell_length_b 8.39387995 _cell_length_c 8.95851589 _cell_angle_alpha 90.88371244 _cell_angle_beta 91.29530540 _cell_angle_gamma 103.00683639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 613.69347858 _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 0.74303900 0.48168900 0.07646600 1.0 Na Na1 1 0.88634600 0.87620400 0.26498500 1.0 Na Na2 1 0.37430600 0.36012500 0.26812300 1.0 Na Na3 1 0.60700900 0.11966100 0.26906900 1.0 Na Na4 1 0.12795900 0.64098700 0.26421900 1.0 Na Na5 1 0.38103200 0.87604200 0.73722300 1.0 Na Na6 1 0.62206400 0.62605600 0.73064500 1.0 Na Na7 1 0.11248100 0.13747700 0.73069600 1.0 Na Na8 1 0.25027700 0.51303000 0.91548200 1.0 Na Na9 1 0.76727900 0.02721700 0.91596400 1.0 Ni Ni10 1 0.98546400 0.23789900 0.34996600 1.0 Ni Ni11 1 0.48855300 0.73451200 0.34418700 1.0 Ni Ni12 1 0.01178000 0.75893300 0.65494300 1.0 Ni Ni13 1 0.51880400 0.26477800 0.65483300 1.0 P P14 1 0.76811900 0.51514900 0.42272300 1.0 P P15 1 0.26601100 0.01742500 0.42345100 1.0 P P16 1 0.73019700 0.97958800 0.58135300 1.0 P P17 1 0.23363300 0.48372500 0.57730300 1.0 C C18 1 0.51942700 0.76826800 0.06349700 1.0 C C19 1 0.02153100 0.26730400 0.07154100 1.0 C C20 1 0.97930500 0.72941200 0.93142900 1.0 C C21 1 0.47984400 0.23478000 0.93266700 1.0 O O22 1 0.96845100 0.71898400 0.07376100 1.0 O O23 1 0.47655800 0.22727600 0.07503400 1.0 O O24 1 0.40648300 0.65472600 0.12164500 1.0 O O25 1 0.90631500 0.15909500 0.13532600 1.0 O O26 1 0.61850700 0.86739600 0.15630700 1.0 O O27 1 0.11895500 0.37224700 0.16062500 1.0 O O28 1 0.32534700 0.88840700 0.32661500 1.0 O O29 1 0.82905000 0.38944600 0.32110900 1.0 O O30 1 0.64395800 0.57564500 0.31675000 1.0 O O31 1 0.13696800 0.07802000 0.32551400 1.0 O O32 1 0.80112900 0.05455400 0.43420100 1.0 O O33 1 0.30791400 0.55424600 0.42951400 1.0 O O34 1 0.91505100 0.66409000 0.45928400 1.0 O O35 1 0.41474700 0.16491900 0.45833400 1.0 O O36 1 0.58736200 0.82779100 0.54386400 1.0 O O37 1 0.08987100 0.33507000 0.53977700 1.0 O O38 1 0.19261300 0.94604900 0.57125900 1.0 O O39 1 0.69103000 0.44254200 0.56612100 1.0 O O40 1 0.86206200 0.92449200 0.68175000 1.0 O O41 1 0.17800700 0.61484800 0.67559300 1.0 O O42 1 0.66270600 0.09934700 0.68259400 1.0 O O43 1 0.36068500 0.42585100 0.68093700 1.0 O O44 1 0.87751100 0.63205500 0.84150700 1.0 O O45 1 0.38074400 0.13607100 0.84155900 1.0 O O46 1 0.59091100 0.34755600 0.87038000 1.0 O O47 1 0.09361100 0.83647800 0.86804400 1.0 O O48 1 0.53471500 0.78007300 0.92125800 1.0 O O49 1 0.03232300 0.27035300 0.93024900 1.0