# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41035600 _cell_length_b 8.43643027 _cell_length_c 8.95665591 _cell_angle_alpha 90.67010773 _cell_angle_beta 90.56060415 _cell_angle_gamma 103.71666207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 617.28674670 _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 0.23476900 0.98083800 0.08525700 1.0 Na Na1 1 0.87174300 0.86020000 0.26918600 1.0 Na Na2 1 0.39047500 0.38758300 0.24229700 1.0 Na Na3 1 0.62892100 0.14276100 0.26352800 1.0 Na Na4 1 0.11260100 0.61694200 0.25482500 1.0 Na Na5 1 0.88739900 0.38305800 0.74517500 1.0 Na Na6 1 0.37107900 0.85723900 0.73647200 1.0 Na Na7 1 0.60952500 0.61241700 0.75770300 1.0 Na Na8 1 0.12825700 0.13980000 0.73081400 1.0 Na Na9 1 0.76523100 0.01916200 0.91474300 1.0 Ni Ni10 1 0.98479100 0.23163100 0.35271200 1.0 Ni Ni11 1 0.48397800 0.73641600 0.35282400 1.0 Ni Ni12 1 0.01520900 0.76836900 0.64728800 1.0 Ni Ni13 1 0.51602200 0.26358400 0.64717600 1.0 P P14 1 0.76821900 0.51826700 0.42375000 1.0 P P15 1 0.26936600 0.01923400 0.41799500 1.0 P P16 1 0.73063400 0.98076600 0.58200500 1.0 P P17 1 0.23178100 0.48173300 0.57625000 1.0 C C18 1 0.51814300 0.77095000 0.07239900 1.0 C C19 1 0.01025500 0.25749000 0.07154300 1.0 C C20 1 0.98974500 0.74251000 0.92845700 1.0 C C21 1 0.48185700 0.22905000 0.92760100 1.0 O O22 1 0.98495300 0.74113000 0.07066700 1.0 O O23 1 0.46591900 0.20839600 0.06846900 1.0 O O24 1 0.40572900 0.65837200 0.13150000 1.0 O O25 1 0.89833100 0.14681500 0.13857400 1.0 O O26 1 0.61628200 0.86879200 0.16622900 1.0 O O27 1 0.11151600 0.35687500 0.15873300 1.0 O O28 1 0.32496900 0.88826500 0.32073300 1.0 O O29 1 0.82652600 0.38758900 0.32989400 1.0 O O30 1 0.63758000 0.57675000 0.32990600 1.0 O O31 1 0.13821200 0.07350000 0.31986700 1.0 O O32 1 0.80080800 0.04937100 0.43132100 1.0 O O33 1 0.29986900 0.55024000 0.42395900 1.0 O O34 1 0.91736700 0.66745300 0.45254400 1.0 O O35 1 0.41836000 0.16750900 0.44759000 1.0 O O36 1 0.58164000 0.83249100 0.55241000 1.0 O O37 1 0.08263300 0.33254700 0.54745600 1.0 O O38 1 0.19919200 0.95062900 0.56867900 1.0 O O39 1 0.70013100 0.44976000 0.57604100 1.0 O O40 1 0.86178800 0.92650000 0.68013300 1.0 O O41 1 0.17347400 0.61241100 0.67010600 1.0 O O42 1 0.67503100 0.11173500 0.67926700 1.0 O O43 1 0.36242000 0.42325000 0.67009400 1.0 O O44 1 0.88848400 0.64312500 0.84126700 1.0 O O45 1 0.38371800 0.13120800 0.83377100 1.0 O O46 1 0.59427100 0.34162800 0.86850000 1.0 O O47 1 0.10166900 0.85318500 0.86142600 1.0 O O48 1 0.53408100 0.79160400 0.93153100 1.0 O O49 1 0.01504700 0.25887000 0.92933300 1.0