# generated using pymatgen data_Na4NiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04007000 _cell_length_b 10.12560300 _cell_length_c 17.54579160 _cell_angle_alpha 88.94672881 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4NiO4 _chemical_formula_sum 'Na32 Ni8 O32' _cell_volume 1072.90791249 _cell_formula_units_Z 8 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 0.90390500 0.85008000 0.35236800 1.0 Na Na1 1 0.09609500 0.85008000 0.85236800 1.0 Na Na2 1 0.61311800 0.80350000 0.14795900 1.0 Na Na3 1 0.38688200 0.80350000 0.64795900 1.0 Na Na4 1 0.67021600 0.71168100 0.80636600 1.0 Na Na5 1 0.32978400 0.71168100 0.30636600 1.0 Na Na6 1 0.16551200 0.67553300 0.49993700 1.0 Na Na7 1 0.83448800 0.67553300 0.99993700 1.0 Na Na8 1 0.90007100 0.60461500 0.24034100 1.0 Na Na9 1 0.09992900 0.60461500 0.74034100 1.0 Na Na10 1 0.34324700 0.60210200 0.92355100 1.0 Na Na11 1 0.65675300 0.60210200 0.42355100 1.0 Na Na12 1 0.18270900 0.45181200 0.06179400 1.0 Na Na13 1 0.81729100 0.45181200 0.56179400 1.0 Na Na14 1 0.37041400 0.40922200 0.25322600 1.0 Na Na15 1 0.62958600 0.40922200 0.75322600 1.0 Na Na16 1 0.66017100 0.35052700 0.00133900 1.0 Na Na17 1 0.33982900 0.35052700 0.50133900 1.0 Na Na18 1 0.85140700 0.31413400 0.17516600 1.0 Na Na19 1 0.14859300 0.31413400 0.67516600 1.0 Na Na20 1 0.30965400 0.30214400 0.86725900 1.0 Na Na21 1 0.69034600 0.30214400 0.36725900 1.0 Na Na22 1 0.16612800 0.19471600 0.36322400 1.0 Na Na23 1 0.83387200 0.19471600 0.86322400 1.0 Na Na24 1 0.66475200 0.15899800 0.67522500 1.0 Na Na25 1 0.33524800 0.15899800 0.17522500 1.0 Na Na26 1 0.84100600 0.13384100 0.50428500 1.0 Na Na27 1 0.15899400 0.13384100 0.00428500 1.0 Na Na28 1 0.18174200 0.06251200 0.74547100 1.0 Na Na29 1 0.81825800 0.06251200 0.24547100 1.0 Na Na30 1 0.33161900 0.03120600 0.54762400 1.0 Na Na31 1 0.66838100 0.03120600 0.04762400 1.0 Ni Ni32 1 0.07380400 0.93468700 0.12991100 1.0 Ni Ni33 1 0.92619600 0.93468700 0.62991100 1.0 Ni Ni34 1 0.41702400 0.52734900 0.62486600 1.0 Ni Ni35 1 0.58297600 0.52734900 0.12486600 1.0 Ni Ni36 1 0.08726400 0.46526300 0.37654400 1.0 Ni Ni37 1 0.91273600 0.46526300 0.87654400 1.0 Ni Ni38 1 0.55684000 0.04252100 0.37588000 1.0 Ni Ni39 1 0.44316000 0.04252100 0.87588000 1.0 O O40 1 0.63787600 0.96336400 0.61754800 1.0 O O41 1 0.36212400 0.96336400 0.11754800 1.0 O O42 1 0.96459500 0.85661300 0.21469000 1.0 O O43 1 0.03540500 0.85661300 0.71469000 1.0 O O44 1 0.91222700 0.86522400 0.05888500 1.0 O O45 1 0.08777300 0.86522400 0.55888500 1.0 O O46 1 0.51219400 0.87240900 0.36871300 1.0 O O47 1 0.48780600 0.87240900 0.86871300 1.0 O O48 1 0.99758200 0.64134600 0.87320100 1.0 O O49 1 0.00241800 0.64134600 0.37320100 1.0 O O50 1 0.47298100 0.60661600 0.04163300 1.0 O O51 1 0.52701900 0.60661600 0.54163300 1.0 O O52 1 0.48440600 0.61124800 0.71222800 1.0 O O53 1 0.51559400 0.61124800 0.21222800 1.0 O O54 1 0.87725000 0.52065500 0.11527900 1.0 O O55 1 0.12275000 0.52065500 0.61527900 1.0 O O56 1 0.39274000 0.45843300 0.38117700 1.0 O O57 1 0.60726000 0.45843300 0.88117700 1.0 O O58 1 0.00087700 0.37825300 0.78777700 1.0 O O59 1 0.99912300 0.37825300 0.28777700 1.0 O O60 1 0.03489200 0.36454400 0.95572000 1.0 O O61 1 0.96510800 0.36454400 0.45572000 1.0 O O62 1 0.51834600 0.35458100 0.62847700 1.0 O O63 1 0.48165400 0.35458100 0.12847700 1.0 O O64 1 0.02645000 0.11469200 0.62759500 1.0 O O65 1 0.97355000 0.11469200 0.12759500 1.0 O O66 1 0.46660900 0.14933300 0.45003900 1.0 O O67 1 0.53339100 0.14933300 0.95003900 1.0 O O68 1 0.51654700 0.14725800 0.79269400 1.0 O O69 1 0.48345300 0.14725800 0.29269400 1.0 O O70 1 0.85813700 0.06662900 0.37801700 1.0 O O71 1 0.14186300 0.06662900 0.87801700 1.0