# generated using pymatgen data_V16(CuO8)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.46838200 _cell_length_b 9.43348906 _cell_length_c 7.10693684 _cell_angle_alpha 89.94497274 _cell_angle_beta 90.00001307 _cell_angle_gamma 90.00003321 _symmetry_Int_Tables_number 1 _chemical_formula_structural V16(CuO8)5 _chemical_formula_sum 'V16 Cu5 O40' _cell_volume 768.87679892 _cell_formula_units_Z 1 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 V V0 1 0.14780300 0.55336600 0.50306700 1.0 V V1 1 0.14869300 0.05109700 0.99700700 1.0 V V2 1 0.14759000 0.05223500 0.50500000 1.0 V V3 1 0.14845900 0.54963900 0.99498900 1.0 V V4 1 0.35354000 0.94742800 0.75056100 1.0 V V5 1 0.35155400 0.95080000 0.24966900 1.0 V V6 1 0.34940400 0.44878900 0.25446700 1.0 V V7 1 0.35167200 0.44535500 0.74575200 1.0 V V8 1 0.64832800 0.44535500 0.74575200 1.0 V V9 1 0.65059600 0.44878900 0.25446700 1.0 V V10 1 0.64844600 0.95080000 0.24966900 1.0 V V11 1 0.64646000 0.94742800 0.75056100 1.0 V V12 1 0.85130700 0.05109800 0.99700700 1.0 V V13 1 0.85241000 0.05223500 0.50500000 1.0 V V14 1 0.85154100 0.54963900 0.99498900 1.0 V V15 1 0.85219700 0.55336600 0.50306700 1.0 Cu Cu16 1 0.00000000 0.31085000 0.74334700 1.0 Cu Cu17 1 0.00000000 0.81797600 0.75076100 1.0 Cu Cu18 1 0.50000000 0.68387400 0.00150500 1.0 Cu Cu19 1 0.50000000 0.68445600 0.49892900 1.0 Cu Cu20 1 0.50000000 0.18112800 0.49881700 1.0 O O21 1 0.00000000 0.48340400 0.98252300 1.0 O O22 1 0.00000000 0.48462600 0.51745300 1.0 O O23 1 0.00000000 0.98356000 0.97964500 1.0 O O24 1 0.00000000 0.98307700 0.51984500 1.0 O O25 1 0.12926200 0.22200700 0.97101200 1.0 O O26 1 0.12613600 0.22267100 0.53533900 1.0 O O27 1 0.12929700 0.72059400 0.96734800 1.0 O O28 1 0.12737100 0.72386200 0.52914700 1.0 O O29 1 0.17745600 0.50323800 0.25122100 1.0 O O30 1 0.17662800 0.00465600 0.24957600 1.0 O O31 1 0.18210800 0.48521000 0.74724700 1.0 O O32 1 0.18298100 0.98605100 0.75151300 1.0 O O33 1 0.32402000 0.00444700 0.99980900 1.0 O O34 1 0.31715300 0.00065000 0.50024700 1.0 O O35 1 0.32071700 0.49591000 0.99960600 1.0 O O36 1 0.32419200 0.51903600 0.50074100 1.0 O O37 1 0.37376900 0.27622500 0.71540600 1.0 O O38 1 0.38073300 0.77438900 0.75584300 1.0 O O39 1 0.37023000 0.27898900 0.28561300 1.0 O O40 1 0.37767700 0.77736300 0.24447600 1.0 O O41 1 0.50000000 0.02001000 0.72641100 1.0 O O42 1 0.50000000 0.52089600 0.75622000 1.0 O O43 1 0.50000000 0.01882300 0.27174800 1.0 O O44 1 0.50000000 0.52005400 0.24348900 1.0 O O45 1 0.62976900 0.27898900 0.28561300 1.0 O O46 1 0.62623100 0.27622500 0.71540600 1.0 O O47 1 0.62232300 0.77736300 0.24447600 1.0 O O48 1 0.61926700 0.77438900 0.75584300 1.0 O O49 1 0.67598100 0.00444700 0.99980900 1.0 O O50 1 0.68284700 0.00065000 0.50024700 1.0 O O51 1 0.67928300 0.49591000 0.99960600 1.0 O O52 1 0.67580800 0.51903600 0.50074100 1.0 O O53 1 0.81789200 0.48521000 0.74724700 1.0 O O54 1 0.82254400 0.50323700 0.25122100 1.0 O O55 1 0.82337200 0.00465600 0.24957600 1.0 O O56 1 0.81701900 0.98605000 0.75151300 1.0 O O57 1 0.87386400 0.22267100 0.53533900 1.0 O O58 1 0.87073800 0.22200700 0.97101100 1.0 O O59 1 0.87070300 0.72059400 0.96734800 1.0 O O60 1 0.87262900 0.72386200 0.52914700 1.0