# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22552600 _cell_length_b 11.07238820 _cell_length_c 11.11133052 _cell_angle_alpha 73.21960897 _cell_angle_beta 88.93191491 _cell_angle_gamma 88.91939053 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 615.34775537 _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 0.75533800 0.88216300 0.86816700 1.0 Na Na1 1 0.24930400 0.37842500 0.87765900 1.0 Na Na2 1 0.25550500 0.63041500 0.63527300 1.0 Na Na3 1 0.25033400 0.88933000 0.37445300 1.0 Na Na4 1 0.77198100 0.41283100 0.66622500 1.0 Na Na5 1 0.22801900 0.58716900 0.33377500 1.0 Na Na6 1 0.74449500 0.36958500 0.36472700 1.0 Na Na7 1 0.74966600 0.11067000 0.62554700 1.0 Na Na8 1 0.75069600 0.62157500 0.12234100 1.0 Na Na9 1 0.24466200 0.11783700 0.13183300 1.0 Ni Ni10 1 0.22192200 0.70211200 0.94809100 1.0 Ni Ni11 1 0.78035800 0.80037500 0.54788800 1.0 Ni Ni12 1 0.21964200 0.19962500 0.45211200 1.0 Ni Ni13 1 0.77807800 0.29788800 0.05190900 1.0 P P14 1 0.28299700 0.91410400 0.66620800 1.0 P P15 1 0.71717800 0.58361900 0.83625100 1.0 P P16 1 0.28282200 0.41638100 0.16374900 1.0 P P17 1 0.71700300 0.08589600 0.33379200 1.0 C C18 1 0.71254100 0.16106800 0.91089900 1.0 C C19 1 0.71533900 0.65635600 0.40768000 1.0 C C20 1 0.28745900 0.83893200 0.08910100 1.0 C C21 1 0.28466100 0.34364400 0.59232000 1.0 O O22 1 0.20396800 0.86431900 0.80812100 1.0 O O23 1 0.85796900 0.65945400 0.91030300 1.0 O O24 1 0.57904700 0.89718800 0.65372900 1.0 O O25 1 0.42010100 0.60004700 0.85333900 1.0 O O26 1 0.14658000 0.83781300 0.58977500 1.0 O O27 1 0.79399200 0.94531700 0.37905500 1.0 O O28 1 0.78532900 0.43977300 0.88219300 1.0 O O29 1 0.78469400 0.62441900 0.69408400 1.0 O O30 1 0.51679500 0.70333200 0.45209500 1.0 O O31 1 0.52294400 0.20793000 0.96232500 1.0 O O32 1 0.93988300 0.19131600 0.94003100 1.0 O O33 1 0.94093300 0.68319200 0.43963600 1.0 O O34 1 0.31139800 0.41639700 0.66365500 1.0 O O35 1 0.31595000 0.90472800 0.16316700 1.0 O O36 1 0.68405000 0.09527200 0.83683300 1.0 O O37 1 0.68860200 0.58360300 0.33634500 1.0 O O38 1 0.06011700 0.80868400 0.05996900 1.0 O O39 1 0.05906700 0.31680800 0.56036400 1.0 O O40 1 0.48320500 0.29666800 0.54790500 1.0 O O41 1 0.47705600 0.79207000 0.03767500 1.0 O O42 1 0.20600800 0.05468300 0.62094500 1.0 O O43 1 0.21467100 0.56022700 0.11780700 1.0 O O44 1 0.21530600 0.37558100 0.30591600 1.0 O O45 1 0.85342000 0.16218700 0.41022500 1.0 O O46 1 0.57989900 0.39995300 0.14666100 1.0 O O47 1 0.42095300 0.10281200 0.34627100 1.0 O O48 1 0.14203100 0.34054600 0.08969700 1.0 O O49 1 0.79603200 0.13568100 0.19187900 1.0