# generated using pymatgen data_Na5Ni2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89699862 _cell_length_b 9.89699862 _cell_length_c 9.84490393 _cell_angle_alpha 60.24130627 _cell_angle_beta 60.24130627 _cell_angle_gamma 90.64347447 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P(CO4)4 _chemical_formula_sum 'Na10 Ni4 P2 C8 O32' _cell_volume 682.97485338 _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 0.65463600 0.90939800 0.25744500 1.0 Na Na1 1 0.90939800 0.65463600 0.75744500 1.0 Na Na2 1 0.08807700 0.91192300 0.25000000 1.0 Na Na3 1 0.09024700 0.34452400 0.82271200 1.0 Na Na4 1 0.65547600 0.90975300 0.67728800 1.0 Na Na5 1 0.91192300 0.08807700 0.75000000 1.0 Na Na6 1 0.34452400 0.09024700 0.32271200 1.0 Na Na7 1 0.90975300 0.65547600 0.17728800 1.0 Na Na8 1 0.09060200 0.34536400 0.24255500 1.0 Na Na9 1 0.34536400 0.09060200 0.74255500 1.0 Ni Ni10 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni11 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni12 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni13 1 0.00000000 0.50000000 0.50000000 1.0 P P14 1 0.12312100 0.87687900 0.75000000 1.0 P P15 1 0.87687900 0.12312100 0.25000000 1.0 C C16 1 0.28385600 0.71588800 0.43244200 1.0 C C17 1 0.65067000 0.71794400 0.06540800 1.0 C C18 1 0.28411200 0.71614400 0.06755800 1.0 C C19 1 0.28205600 0.34933000 0.43459200 1.0 C C20 1 0.71588800 0.28385600 0.93244200 1.0 C C21 1 0.71794400 0.65067000 0.56540800 1.0 C C22 1 0.34933000 0.28205600 0.93459200 1.0 C C23 1 0.71614400 0.28411200 0.56755800 1.0 O O24 1 0.31536700 0.94017700 0.62310900 1.0 O O25 1 0.06087800 0.93913600 0.87932700 1.0 O O26 1 0.06086400 0.93912200 0.62067300 1.0 O O27 1 0.05982300 0.68463300 0.87689100 1.0 O O28 1 0.65447700 0.69546600 0.20452600 1.0 O O29 1 0.39931000 0.85990800 0.29394900 1.0 O O30 1 0.65361900 0.86048200 0.94628800 1.0 O O31 1 0.30859800 0.59632200 0.54402200 1.0 O O32 1 0.13924100 0.69407900 0.46208200 1.0 O O33 1 0.65187000 0.60250100 0.03963100 1.0 O O34 1 0.30592100 0.86075900 0.03791800 1.0 O O35 1 0.39749900 0.34813000 0.46036900 1.0 O O36 1 0.85990800 0.39931000 0.79394900 1.0 O O37 1 0.69546600 0.65447700 0.70452600 1.0 O O38 1 0.40367800 0.69140200 0.95597800 1.0 O O39 1 0.13951800 0.34638100 0.55371200 1.0 O O40 1 0.86048200 0.65361900 0.44628800 1.0 O O41 1 0.59632200 0.30859800 0.04402200 1.0 O O42 1 0.30453400 0.34552300 0.29547400 1.0 O O43 1 0.14009200 0.60069000 0.20605100 1.0 O O44 1 0.69407900 0.13924100 0.96208200 1.0 O O45 1 0.60250100 0.65187000 0.53963100 1.0 O O46 1 0.34813000 0.39749900 0.96036900 1.0 O O47 1 0.86075900 0.30592100 0.53791800 1.0 O O48 1 0.69140200 0.40367800 0.45597800 1.0 O O49 1 0.34638100 0.13951800 0.05371200 1.0 O O50 1 0.34552300 0.30453400 0.79547400 1.0 O O51 1 0.60069000 0.14009200 0.70605100 1.0 O O52 1 0.94017700 0.31536700 0.12310900 1.0 O O53 1 0.93913600 0.06087800 0.37932700 1.0 O O54 1 0.93912200 0.06086400 0.12067300 1.0 O O55 1 0.68463300 0.05982300 0.37689100 1.0