# generated using pymatgen data_Na5Ni2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61901900 _cell_length_b 10.16022400 _cell_length_c 10.37387798 _cell_angle_alpha 60.82424628 _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 609.13869062 _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 0.48630900 0.73009200 0.26758000 1.0 Na Na1 1 0.01369100 0.73009200 0.26758000 1.0 Na Na2 1 0.99382700 0.25342100 0.25725600 1.0 Na Na3 1 0.50617300 0.25342100 0.25725600 1.0 Na Na4 1 0.75000000 0.08405500 0.06939400 1.0 Na Na5 1 0.25000000 0.91594500 0.93060600 1.0 Na Na6 1 0.00617300 0.74657900 0.74274400 1.0 Na Na7 1 0.49382700 0.74657900 0.74274400 1.0 Na Na8 1 0.98630900 0.26990800 0.73242000 1.0 Na Na9 1 0.51369100 0.26990800 0.73242000 1.0 Ni Ni10 1 0.75000000 0.65150300 0.06422100 1.0 Ni Ni11 1 0.25000000 0.34944000 0.43671500 1.0 Ni Ni12 1 0.75000000 0.65056000 0.56328500 1.0 Ni Ni13 1 0.25000000 0.34849700 0.93577900 1.0 P P14 1 0.25000000 0.58115800 0.06717500 1.0 P P15 1 0.75000000 0.42000200 0.43126900 1.0 P P16 1 0.25000000 0.57999800 0.56873100 1.0 P P17 1 0.75000000 0.41884200 0.93282500 1.0 C C18 1 0.25000000 0.06592700 0.10769400 1.0 C C19 1 0.25000000 0.06957300 0.61035900 1.0 C C20 1 0.75000000 0.93042700 0.38964100 1.0 C C21 1 0.75000000 0.93407300 0.89230600 1.0 O O22 1 0.75000000 0.87174000 0.03618100 1.0 O O23 1 0.06444300 0.68008500 0.05463700 1.0 O O24 1 0.43555700 0.68008500 0.05463700 1.0 O O25 1 0.75000000 0.57110000 0.28630200 1.0 O O26 1 0.25000000 0.54522200 0.43610500 1.0 O O27 1 0.75000000 0.45156200 0.06440300 1.0 O O28 1 0.25000000 0.43038000 0.21334100 1.0 O O29 1 0.93840100 0.32473900 0.44564900 1.0 O O30 1 0.56159900 0.32473900 0.44564900 1.0 O O31 1 0.25000000 0.15825100 0.15971300 1.0 O O32 1 0.25000000 0.16249100 0.66314200 1.0 O O33 1 0.25000000 0.13299000 0.46740500 1.0 O O34 1 0.75000000 0.07198400 0.30486700 1.0 O O35 1 0.75000000 0.07671500 0.81354500 1.0 O O36 1 0.25000000 0.92328500 0.18645500 1.0 O O37 1 0.25000000 0.92801600 0.69513300 1.0 O O38 1 0.75000000 0.86701000 0.53259500 1.0 O O39 1 0.75000000 0.83750900 0.33685800 1.0 O O40 1 0.75000000 0.84174900 0.84028700 1.0 O O41 1 0.06159900 0.67526100 0.55435100 1.0 O O42 1 0.43840100 0.67526100 0.55435100 1.0 O O43 1 0.75000000 0.56962000 0.78665900 1.0 O O44 1 0.25000000 0.54843800 0.93559700 1.0 O O45 1 0.75000000 0.45477800 0.56389500 1.0 O O46 1 0.25000000 0.42890000 0.71369800 1.0 O O47 1 0.56444300 0.31991500 0.94536300 1.0 O O48 1 0.93555700 0.31991500 0.94536300 1.0 O O49 1 0.25000000 0.12826000 0.96381900 1.0