# generated using pymatgen data_Na5Ni2As(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95923284 _cell_length_b 9.95225809 _cell_length_c 9.93538448 _cell_angle_alpha 60.10249329 _cell_angle_beta 60.03277886 _cell_angle_gamma 59.86472785 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2As(CO4)4 _chemical_formula_sum 'Na10 Ni4 As2 C8 O32' _cell_volume 696.32701917 _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 0.15559400 0.59815500 0.33238900 1.0 Na Na1 1 0.91710100 0.33559200 0.65297300 1.0 Na Na2 1 0.91761100 0.33613800 0.09440600 1.0 Na Na3 1 0.33559200 0.91710100 0.09433400 1.0 Na Na4 1 0.15566600 0.59702700 0.91440800 1.0 Na Na5 1 0.59815500 0.15559400 0.91386200 1.0 Na Na6 1 0.59702700 0.15566600 0.33289900 1.0 Na Na7 1 0.33969400 0.33969400 0.66030600 1.0 Na Na8 1 0.33613800 0.91761100 0.65184500 1.0 Na Na9 1 0.58969400 0.58969400 0.91030600 1.0 Ni Ni10 1 0.24781200 0.75251500 0.50015600 1.0 Ni Ni11 1 0.75048300 0.74984400 0.49748500 1.0 Ni Ni12 1 0.75251500 0.24781200 0.49951700 1.0 Ni Ni13 1 0.74984400 0.75048300 0.00218800 1.0 As As14 1 0.12349700 0.12349700 0.87650300 1.0 As As15 1 0.37349700 0.37349700 0.12650300 1.0 C C16 1 0.53491400 0.89144100 0.28664300 1.0 C C17 1 0.89144100 0.53491400 0.28700200 1.0 C C18 1 0.53506400 0.53490200 0.64511100 1.0 C C19 1 0.53490200 0.53506400 0.28492300 1.0 C C20 1 0.96335700 0.96299800 0.71508600 1.0 C C21 1 0.96299800 0.96335700 0.35855900 1.0 C C22 1 0.96507700 0.60488900 0.71509800 1.0 C C23 1 0.60488900 0.96507700 0.71493600 1.0 O O24 1 0.10617800 0.85011700 0.35219200 1.0 O O25 1 0.89816000 0.64778000 0.31032500 1.0 O O26 1 0.64778000 0.89816000 0.14373500 1.0 O O27 1 0.94114800 0.60087400 0.60048800 1.0 O O28 1 0.89780800 0.55848700 0.14382200 1.0 O O29 1 0.19526600 0.19556800 0.66452500 1.0 O O30 1 0.19556800 0.19526600 0.94464100 1.0 O O31 1 0.88607500 0.39792600 0.40450300 1.0 O O32 1 0.39792600 0.88607500 0.31149600 1.0 O O33 1 0.65027800 0.56024600 0.64644600 1.0 O O34 1 0.56024600 0.65027800 0.14303000 1.0 O O35 1 0.20637500 0.91200900 0.93994000 1.0 O O36 1 0.91200900 0.20637500 0.94167500 1.0 O O37 1 0.10626500 0.93967500 0.60222000 1.0 O O38 1 0.93967500 0.10626500 0.35184000 1.0 O O39 1 0.64951200 0.39251000 0.30885200 1.0 O O40 1 0.85011700 0.10617800 0.69151300 1.0 O O41 1 0.56018100 0.39231300 0.64870900 1.0 O O42 1 0.39231300 0.56018100 0.39879700 1.0 O O43 1 0.30535900 0.58547500 0.05443200 1.0 O O44 1 0.58547500 0.30535900 0.05473400 1.0 O O45 1 0.93850400 0.84549700 0.85207400 1.0 O O46 1 0.84549700 0.93850400 0.36392500 1.0 O O47 1 0.10697000 0.60355400 0.68975400 1.0 O O48 1 0.60355400 0.10697000 0.59972200 1.0 O O49 1 0.31006000 0.30832500 0.04362500 1.0 O O50 1 0.30832500 0.31006000 0.33799100 1.0 O O51 1 0.60087400 0.94114800 0.85749000 1.0 O O52 1 0.55848700 0.89780800 0.39988300 1.0 O O53 1 0.60129100 0.85120300 0.68981900 1.0 O O54 1 0.85120300 0.60129100 0.85768700 1.0 O O55 1 0.39251000 0.64951200 0.64912600 1.0