# generated using pymatgen data_Na5CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98734000 _cell_length_b 10.48581700 _cell_length_c 17.96321900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5CuO4 _chemical_formula_sum 'Na40 Cu8 O32' _cell_volume 1127.76953771 _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 0.92437900 0.93585600 0.43414000 1.0 Na Na1 1 0.57562100 0.93585600 0.93414000 1.0 Na Na2 1 0.39726400 0.92090600 0.75151700 1.0 Na Na3 1 0.10273600 0.92090600 0.25151700 1.0 Na Na4 1 0.08547100 0.84241400 0.00163000 1.0 Na Na5 1 0.41452900 0.84241400 0.50163000 1.0 Na Na6 1 0.89829200 0.82912900 0.82876500 1.0 Na Na7 1 0.60170800 0.82912900 0.32876500 1.0 Na Na8 1 0.42152700 0.79600700 0.13841500 1.0 Na Na9 1 0.07847300 0.79600700 0.63841500 1.0 Na Na10 1 0.92152700 0.70399300 0.13841500 1.0 Na Na11 1 0.57847300 0.70399300 0.63841500 1.0 Na Na12 1 0.39829200 0.67087100 0.82876500 1.0 Na Na13 1 0.10170800 0.67087100 0.32876500 1.0 Na Na14 1 0.58547100 0.65758600 0.00163000 1.0 Na Na15 1 0.91452900 0.65758600 0.50163000 1.0 Na Na16 1 0.60273600 0.57909400 0.25151700 1.0 Na Na17 1 0.89726400 0.57909400 0.75151700 1.0 Na Na18 1 0.07562100 0.56414400 0.93414000 1.0 Na Na19 1 0.42437900 0.56414400 0.43414000 1.0 Na Na20 1 0.92437900 0.43585600 0.06586000 1.0 Na Na21 1 0.57562100 0.43585600 0.56586000 1.0 Na Na22 1 0.10273600 0.42090600 0.24848300 1.0 Na Na23 1 0.39726400 0.42090600 0.74848300 1.0 Na Na24 1 0.41452900 0.34241400 0.99837000 1.0 Na Na25 1 0.08547100 0.34241400 0.49837000 1.0 Na Na26 1 0.60170800 0.32912900 0.17123500 1.0 Na Na27 1 0.89829200 0.32912900 0.67123500 1.0 Na Na28 1 0.42152700 0.29600700 0.36158500 1.0 Na Na29 1 0.07847300 0.29600700 0.86158500 1.0 Na Na30 1 0.92152700 0.20399300 0.36158500 1.0 Na Na31 1 0.57847300 0.20399300 0.86158500 1.0 Na Na32 1 0.39829200 0.17087100 0.67123500 1.0 Na Na33 1 0.10170800 0.17087100 0.17123500 1.0 Na Na34 1 0.58547100 0.15758600 0.49837000 1.0 Na Na35 1 0.91452900 0.15758600 0.99837000 1.0 Na Na36 1 0.89726400 0.07909400 0.74848300 1.0 Na Na37 1 0.60273600 0.07909400 0.24848300 1.0 Na Na38 1 0.07562100 0.06414400 0.56586000 1.0 Na Na39 1 0.42437900 0.06414400 0.06586000 1.0 Cu Cu40 1 0.82262400 0.96135600 0.12256900 1.0 Cu Cu41 1 0.67737600 0.96135600 0.62256900 1.0 Cu Cu42 1 0.32262400 0.53864400 0.12256900 1.0 Cu Cu43 1 0.17737600 0.53864400 0.62256900 1.0 Cu Cu44 1 0.82262400 0.46135600 0.37743100 1.0 Cu Cu45 1 0.67737600 0.46135600 0.87743100 1.0 Cu Cu46 1 0.32262400 0.03864400 0.37743100 1.0 Cu Cu47 1 0.17737600 0.03864400 0.87743100 1.0 O O48 1 0.14186800 0.95784100 0.12123200 1.0 O O49 1 0.35813200 0.95784100 0.62123200 1.0 O O50 1 0.73159500 0.86880400 0.21114000 1.0 O O51 1 0.76840500 0.86880400 0.71114000 1.0 O O52 1 0.68885500 0.86145900 0.04603700 1.0 O O53 1 0.81114500 0.86145900 0.54603700 1.0 O O54 1 0.24284400 0.85949200 0.37475600 1.0 O O55 1 0.25715600 0.85949200 0.87475600 1.0 O O56 1 0.74284400 0.64050800 0.37475600 1.0 O O57 1 0.75715600 0.64050800 0.87475600 1.0 O O58 1 0.18885500 0.63854100 0.04603700 1.0 O O59 1 0.31114500 0.63854100 0.54603700 1.0 O O60 1 0.26840500 0.63119600 0.71114000 1.0 O O61 1 0.23159500 0.63119600 0.21114000 1.0 O O62 1 0.64186800 0.54215900 0.12123200 1.0 O O63 1 0.85813200 0.54215900 0.62123200 1.0 O O64 1 0.14186800 0.45784100 0.37876800 1.0 O O65 1 0.35813200 0.45784100 0.87876800 1.0 O O66 1 0.76840500 0.36880400 0.78886000 1.0 O O67 1 0.73159500 0.36880400 0.28886000 1.0 O O68 1 0.81114500 0.36145900 0.95396300 1.0 O O69 1 0.68885500 0.36145900 0.45396300 1.0 O O70 1 0.24284400 0.35949200 0.12524400 1.0 O O71 1 0.25715600 0.35949200 0.62524400 1.0 O O72 1 0.75715600 0.14050800 0.62524400 1.0 O O73 1 0.74284400 0.14050800 0.12524400 1.0 O O74 1 0.18885500 0.13854100 0.45396300 1.0 O O75 1 0.31114500 0.13854100 0.95396300 1.0 O O76 1 0.26840500 0.13119600 0.78886000 1.0 O O77 1 0.23159500 0.13119600 0.28886000 1.0 O O78 1 0.64186800 0.04215900 0.37876800 1.0 O O79 1 0.85813200 0.04215900 0.87876800 1.0