# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63543600 _cell_length_b 5.19858400 _cell_length_c 17.64704969 _cell_angle_alpha 88.33421513 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 608.47545799 _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 0.01371400 0.25448100 0.88342300 1.0 Na Na1 1 0.48628600 0.25448100 0.88342300 1.0 Na Na2 1 0.51371400 0.74551900 0.11657700 1.0 Na Na3 1 0.98628600 0.74551900 0.11657700 1.0 Na Na4 1 0.25000000 0.77696800 0.28976600 1.0 Na Na5 1 0.00725100 0.25451200 0.38285200 1.0 Na Na6 1 0.49274900 0.25451200 0.38285200 1.0 Na Na7 1 0.50725100 0.74548800 0.61714800 1.0 Na Na8 1 0.99274900 0.74548800 0.61714800 1.0 Na Na9 1 0.75000000 0.22303200 0.71023400 1.0 Ni Ni10 1 0.75000000 0.77752700 0.92260000 1.0 Ni Ni11 1 0.25000000 0.22247300 0.07740000 1.0 Ni Ni12 1 0.75000000 0.77780800 0.42267700 1.0 Ni Ni13 1 0.25000000 0.22219200 0.57732300 1.0 P P14 1 0.25000000 0.71901000 0.95935600 1.0 P P15 1 0.75000000 0.28099000 0.04064400 1.0 P P16 1 0.25000000 0.71981300 0.45944600 1.0 P P17 1 0.75000000 0.28018700 0.54055400 1.0 C C18 1 0.75000000 0.71027300 0.78172500 1.0 C C19 1 0.25000000 0.28972700 0.21827500 1.0 C C20 1 0.75000000 0.71208300 0.28320100 1.0 C C21 1 0.25000000 0.28791700 0.71679900 1.0 O O22 1 0.25000000 0.31727800 0.78725300 1.0 O O23 1 0.75000000 0.93549900 0.81138200 1.0 O O24 1 0.75000000 0.51077600 0.82792200 1.0 O O25 1 0.06265400 0.79111400 0.91105100 1.0 O O26 1 0.43734600 0.79111400 0.91105100 1.0 O O27 1 0.75000000 0.14229200 0.96443300 1.0 O O28 1 0.25000000 0.42172100 0.97656600 1.0 O O29 1 0.75000000 0.57827900 0.02343400 1.0 O O30 1 0.25000000 0.85770800 0.03556700 1.0 O O31 1 0.56265400 0.20888600 0.08894900 1.0 O O32 1 0.93734600 0.20888600 0.08894900 1.0 O O33 1 0.25000000 0.48922400 0.17207800 1.0 O O34 1 0.25000000 0.06450100 0.18861800 1.0 O O35 1 0.75000000 0.68272200 0.21274700 1.0 O O36 1 0.25000000 0.31376600 0.29061700 1.0 O O37 1 0.75000000 0.93769700 0.31285200 1.0 O O38 1 0.75000000 0.51945700 0.33229500 1.0 O O39 1 0.06442800 0.78770600 0.40907600 1.0 O O40 1 0.43557200 0.78770600 0.40907600 1.0 O O41 1 0.75000000 0.13604300 0.46540500 1.0 O O42 1 0.25000000 0.42439800 0.47861900 1.0 O O43 1 0.75000000 0.57560200 0.52138100 1.0 O O44 1 0.25000000 0.86395700 0.53459500 1.0 O O45 1 0.56442800 0.21229400 0.59092400 1.0 O O46 1 0.93557200 0.21229400 0.59092400 1.0 O O47 1 0.25000000 0.48054300 0.66770500 1.0 O O48 1 0.25000000 0.06230300 0.68714800 1.0 O O49 1 0.75000000 0.68623400 0.70938300 1.0