# generated using pymatgen data_Na4Ni2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96982410 _cell_length_b 9.94947012 _cell_length_c 9.76889809 _cell_angle_alpha 60.73564224 _cell_angle_beta 60.52756896 _cell_angle_gamma 58.73678880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Ni2P(CO4)4 _chemical_formula_sum 'Na8 Ni4 P2 C8 O32' _cell_volume 684.70302063 _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 0.96313300 0.53686700 0.96313300 1.0 Na Na1 1 0.96228400 0.53771600 0.53771600 1.0 Na Na2 1 0.71228400 0.28771600 0.28771600 1.0 Na Na3 1 0.71313300 0.28686700 0.71313300 1.0 Na Na4 1 0.53686700 0.96313300 0.53686700 1.0 Na Na5 1 0.53771600 0.96228400 0.96228400 1.0 Na Na6 1 0.28771600 0.71228400 0.71228400 1.0 Na Na7 1 0.28686700 0.71313300 0.28686700 1.0 Ni Ni8 1 0.12500000 0.62500000 0.12500000 1.0 Ni Ni9 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni10 1 0.12500000 0.12500000 0.12500000 1.0 Ni Ni11 1 0.12500000 0.12500000 0.62500000 1.0 P P12 1 0.50000000 0.50000000 0.50000000 1.0 P P13 1 0.75000000 0.75000000 0.75000000 1.0 C C14 1 0.90347000 0.27106200 0.91362200 1.0 C C15 1 0.97893800 0.34653000 0.33815500 1.0 C C16 1 0.91362200 0.91184500 0.90347000 1.0 C C17 1 0.91184500 0.91362200 0.27106200 1.0 C C18 1 0.33815500 0.33637800 0.97893800 1.0 C C19 1 0.33637800 0.33815500 0.34653000 1.0 C C20 1 0.27106200 0.90347000 0.91184500 1.0 C C21 1 0.34653000 0.97893800 0.33637800 1.0 O O22 1 0.01497500 0.27801300 0.93879200 1.0 O O23 1 0.56059400 0.56239800 0.30862800 1.0 O O24 1 0.76823500 0.26331500 0.03304400 1.0 O O25 1 0.98668500 0.48176500 0.31459300 1.0 O O26 1 0.03304400 0.93540700 0.76823500 1.0 O O27 1 0.97145300 0.32521700 0.22208300 1.0 O O28 1 0.30862800 0.56838100 0.56059400 1.0 O O29 1 0.56239800 0.56059400 0.56838100 1.0 O O30 1 0.48124700 0.22208300 0.32521700 1.0 O O31 1 0.93540700 0.03304400 0.26331500 1.0 O O32 1 0.97198700 0.23502500 0.48178000 1.0 O O33 1 0.56838100 0.30862800 0.56239800 1.0 O O34 1 0.93879200 0.76822000 0.01497500 1.0 O O35 1 0.76822000 0.93879200 0.27801300 1.0 O O36 1 0.92478300 0.27854700 0.76875300 1.0 O O37 1 0.22208300 0.48124700 0.97145300 1.0 O O38 1 0.02791700 0.76875300 0.27854700 1.0 O O39 1 0.32521700 0.97145300 0.48124700 1.0 O O40 1 0.48178000 0.31120800 0.97198700 1.0 O O41 1 0.31120800 0.48178000 0.23502500 1.0 O O42 1 0.68161900 0.94137200 0.68760200 1.0 O O43 1 0.27801300 0.01497500 0.76822000 1.0 O O44 1 0.31459300 0.21695600 0.98668500 1.0 O O45 1 0.76875300 0.02791700 0.92478300 1.0 O O46 1 0.68760200 0.68940600 0.68161900 1.0 O O47 1 0.94137200 0.68161900 0.68940600 1.0 O O48 1 0.27854700 0.92478300 0.02791700 1.0 O O49 1 0.21695600 0.31459300 0.48176500 1.0 O O50 1 0.26331500 0.76823500 0.93540700 1.0 O O51 1 0.48176500 0.98668500 0.21695600 1.0 O O52 1 0.68940600 0.68760200 0.94137200 1.0 O O53 1 0.23502500 0.97198700 0.31120800 1.0