# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88201677 _cell_length_b 5.25091669 _cell_length_c 13.22588554 _cell_angle_alpha 90.02679389 _cell_angle_beta 90.13313791 _cell_angle_gamma 88.07818339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P2(CO7)2 _chemical_formula_sum 'Na10 Ni4 P4 C4 O28' _cell_volume 616.48983504 _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 0.07942700 0.77207800 0.12926500 1.0 Na Na1 1 0.27433100 0.25788500 0.00478700 1.0 Na Na2 1 0.27525100 0.25696700 0.24429700 1.0 Na Na3 1 0.26593600 0.25313400 0.50683100 1.0 Na Na4 1 0.26587600 0.25381900 0.74371000 1.0 Na Na5 1 0.72805700 0.74734200 0.48750800 1.0 Na Na6 1 0.73233500 0.74553900 0.75444700 1.0 Na Na7 1 0.72897600 0.74374800 0.00032200 1.0 Na Na8 1 0.91718400 0.22392500 0.87508900 1.0 Na Na9 1 0.91056300 0.21810000 0.36757600 1.0 Ni Ni10 1 0.34412600 0.77554200 0.37487800 1.0 Ni Ni11 1 0.34512400 0.77788000 0.87527000 1.0 Ni Ni12 1 0.65766700 0.21965700 0.12946800 1.0 Ni Ni13 1 0.65553500 0.22274100 0.62431000 1.0 P P14 1 0.42129700 0.72096600 0.12598000 1.0 P P15 1 0.42226900 0.71951700 0.62458600 1.0 P P16 1 0.57791200 0.28270000 0.37513300 1.0 P P17 1 0.58187300 0.28105200 0.87521700 1.0 C C18 1 0.06732000 0.70806500 0.37755200 1.0 C C19 1 0.06291800 0.71159200 0.87475300 1.0 C C20 1 0.93114400 0.28866600 0.62473400 1.0 C C21 1 0.93967700 0.28826600 0.12244500 1.0 O O22 1 0.08355100 0.31616400 0.12454600 1.0 O O23 1 0.07165900 0.31418600 0.62504600 1.0 O O24 1 0.12674300 0.93350100 0.37394800 1.0 O O25 1 0.12059000 0.93628100 0.87599900 1.0 O O26 1 0.16326900 0.51359100 0.37477300 1.0 O O27 1 0.15686500 0.51512900 0.87419000 1.0 O O28 1 0.32416200 0.78831300 0.53064600 1.0 O O29 1 0.31675200 0.78777400 0.03329100 1.0 O O30 1 0.31875200 0.79022700 0.21874600 1.0 O O31 1 0.32564500 0.79075100 0.71804900 1.0 O O32 1 0.43030100 0.13620700 0.37572500 1.0 O O33 1 0.43189900 0.14050200 0.87427800 1.0 O O34 1 0.45630400 0.42750200 0.12532300 1.0 O O35 1 0.45968400 0.42487400 0.62526100 1.0 O O36 1 0.53480800 0.57405000 0.37907800 1.0 O O37 1 0.54656700 0.57516300 0.87502200 1.0 O O38 1 0.57247700 0.86143900 0.62351100 1.0 O O39 1 0.56606700 0.86960700 0.12392900 1.0 O O40 1 0.68202100 0.20979500 0.78197800 1.0 O O41 1 0.68160000 0.21003500 0.96851600 1.0 O O42 1 0.67705600 0.22596900 0.28189700 1.0 O O43 1 0.68070700 0.21490200 0.46743300 1.0 O O44 1 0.84566700 0.48237000 0.12131700 1.0 O O45 1 0.83313600 0.47986100 0.62453600 1.0 O O46 1 0.86988700 0.06671300 0.62481500 1.0 O O47 1 0.88299400 0.06297200 0.12296900 1.0 O O48 1 0.91931900 0.68439500 0.87599000 1.0 O O49 1 0.92639500 0.68260500 0.38110800 1.0