# generated using pymatgen data_K3Nb6VO19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20540554 _cell_length_b 9.20540554 _cell_length_c 24.26608408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999844 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Nb6VO19 _chemical_formula_sum 'K12 Nb24 V4 O76' _cell_volume 1780.80427147 _cell_formula_units_Z 4 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 K K0 1 0.59485071 0.59485071 0.74058862 1.0 K K1 1 0.40514929 0.00000000 0.74058862 1.0 K K2 1 0.41714576 0.41714576 0.50000000 1.0 K K3 1 0.00000000 0.40514929 0.74058862 1.0 K K4 1 0.00000000 0.40514929 0.25941138 1.0 K K5 1 0.40326329 0.40326329 -0.00000000 1.0 K K6 1 1.00000000 0.59673671 -0.00000000 1.0 K K7 1 0.59673671 1.00000000 -0.00000000 1.0 K K8 1 0.58285424 1.00000000 0.50000000 1.0 K K9 1 1.00000000 0.58285424 0.50000000 1.0 K K10 1 0.40514929 0.00000000 0.25941138 1.0 K K11 1 0.59485071 0.59485071 0.25941138 1.0 Nb Nb12 1 1.00000000 0.75698426 0.82511675 1.0 Nb Nb13 1 0.00000000 0.23297266 0.42176343 1.0 Nb Nb14 1 0.00000000 0.23297266 0.57823657 1.0 Nb Nb15 1 1.00000000 0.75698426 0.17488325 1.0 Nb Nb16 1 0.25266023 0.00000000 0.07783624 1.0 Nb Nb17 1 0.00000000 -0.00000000 0.30193192 1.0 Nb Nb18 1 0.33333300 0.66666700 0.13117819 1.0 Nb Nb19 1 0.00000000 -0.00000000 0.69806808 1.0 Nb Nb20 1 0.66666700 0.33333300 0.86882181 1.0 Nb Nb21 1 0.74733977 0.74733977 0.92216376 1.0 Nb Nb22 1 0.33333300 0.66666700 0.86882181 1.0 Nb Nb23 1 0.76702734 0.76702734 0.57823657 1.0 Nb Nb24 1 0.66666700 0.33333300 0.13117819 1.0 Nb Nb25 1 0.00000000 0.25266023 0.07783624 1.0 Nb Nb26 1 0.23297266 0.00000000 0.57823657 1.0 Nb Nb27 1 0.23297266 0.00000000 0.42176343 1.0 Nb Nb28 1 0.00000000 0.25266023 0.92216376 1.0 Nb Nb29 1 0.75698426 1.00000000 0.82511675 1.0 Nb Nb30 1 0.24301574 0.24301574 0.82511675 1.0 Nb Nb31 1 0.75698426 1.00000000 0.17488325 1.0 Nb Nb32 1 0.76702734 0.76702734 0.42176343 1.0 Nb Nb33 1 0.24301574 0.24301574 0.17488325 1.0 Nb Nb34 1 0.74733977 0.74733977 0.07783624 1.0 Nb Nb35 1 0.25266023 0.00000000 0.92216376 1.0 V V36 1 0.66666700 0.33333300 0.61853145 1.0 V V37 1 0.66666700 0.33333300 0.38146855 1.0 V V38 1 0.33333300 0.66666700 0.38146855 1.0 V V39 1 0.33333300 0.66666700 0.61853145 1.0 O O40 1 1.00000000 0.82260001 0.24699745 1.0 O O41 1 0.21153303 0.00000000 0.83822223 1.0 O O42 1 0.17623821 0.17623821 0.56648902 1.0 O O43 1 0.31696363 0.48272213 0.82361972 1.0 O O44 1 0.68806481 0.51717872 0.92113010 1.0 O O45 1 0.17475260 0.47760839 0.59220870 1.0 O O46 1 0.00000000 0.21153303 0.83822223 1.0 O O47 1 0.48282128 0.17088609 0.07886990 1.0 O O48 1 0.48282128 0.17088609 0.92113010 1.0 O O49 1 0.48272213 0.31696363 0.82361972 1.0 O O50 1 0.17475260 0.47760839 0.40779130 1.0 O O51 1 1.00000000 0.20559139 -0.00000000 1.0 O O52 1 0.52239161 0.69714421 0.40779130 1.0 O O53 1 0.28835001 0.00000000 0.50000000 1.0 O O54 1 0.80348505 1.00000000 0.09065439 1.0 O O55 1 0.21153303 0.00000000 0.16177777 1.0 O O56 1 0.71164999 0.71164999 0.50000000 1.0 O O57 1 0.51727787 0.83424150 0.17638028 1.0 O O58 1 0.82260001 1.00000000 0.24699745 1.0 O O59 1 0.33333300 0.66666700 0.31338938 1.0 O O60 1 0.52239161 0.69714421 0.59220870 1.0 O O61 1 0.19651495 0.19651495 0.09065439 1.0 O O62 1 1.00000000 0.80348505 0.90934561 1.0 O O63 1 0.83424150 0.51727787 0.82361972 1.0 O O64 1 0.17974184 0.00000000 0.34134128 1.0 O O65 1 0.78846697 0.78846697 0.16177777 1.0 O O66 1 0.30285579 0.82524740 0.40779130 1.0 O O67 1 0.82524740 0.30285579 0.59220870 1.0 O O68 1 0.17088609 0.48282128 0.07886990 1.0 O O69 1 1.00000000 0.80348505 0.09065439 1.0 O O70 1 0.00000000 0.17974184 0.65865872 1.0 O O71 1 0.68303637 0.16575850 0.82361972 1.0 O O72 1 0.66666700 0.33333300 0.68661062 1.0 O O73 1 0.17623821 0.17623821 0.43351098 1.0 O O74 1 0.80348505 1.00000000 0.90934561 1.0 O O75 1 0.30285579 0.82524740 0.59220870 1.0 O O76 1 0.33333300 0.66666700 0.68661062 1.0 O O77 1 1.00000000 0.82260001 0.75300255 1.0 O O78 1 0.51717872 0.68806481 0.07886990 1.0 O O79 1 0.17739999 0.17739999 0.24699745 1.0 O O80 1 0.16575850 0.68303637 0.17638028 1.0 O O81 1 0.68806481 0.51717872 0.07886990 1.0 O O82 1 0.82911391 0.31193519 0.92113010 1.0 O O83 1 0.16575850 0.68303637 0.82361972 1.0 O O84 1 1.00000000 0.82376179 0.56648902 1.0 O O85 1 0.79440861 0.79440861 -0.00000000 1.0 O O86 1 0.82524740 0.30285579 0.40779130 1.0 O O87 1 0.83424150 0.51727787 0.17638028 1.0 O O88 1 0.51727787 0.83424150 0.82361972 1.0 O O89 1 0.82376179 1.00000000 0.43351098 1.0 O O90 1 0.00000000 0.17974184 0.34134128 1.0 O O91 1 0.00000000 0.21153303 0.16177777 1.0 O O92 1 0.31193519 0.82911391 0.92113010 1.0 O O93 1 0.47760839 0.17475260 0.40779130 1.0 O O94 1 0.47760839 0.17475260 0.59220870 1.0 O O95 1 0.82911391 0.31193519 0.07886990 1.0 O O96 1 0.68303637 0.16575850 0.17638028 1.0 O O97 1 0.82260001 1.00000000 0.75300255 1.0 O O98 1 0.20559139 1.00000000 -0.00000000 1.0 O O99 1 0.66666700 0.33333300 0.31338938 1.0 O O100 1 0.48272213 0.31696363 0.17638028 1.0 O O101 1 0.51717872 0.68806481 0.92113010 1.0 O O102 1 0.17974184 0.00000000 0.65865872 1.0 O O103 1 0.31696363 0.48272213 0.17638028 1.0 O O104 1 0.82376179 1.00000000 0.56648902 1.0 O O105 1 0.17088609 0.48282128 0.92113010 1.0 O O106 1 0.00000000 0.28835001 0.50000000 1.0 O O107 1 1.00000000 0.82376179 0.43351098 1.0 O O108 1 0.31193519 0.82911391 0.07886990 1.0 O O109 1 0.69714421 0.52239161 0.40779130 1.0 O O110 1 0.17739999 0.17739999 0.75300255 1.0 O O111 1 0.82025816 0.82025816 0.34134128 1.0 O O112 1 0.78846697 0.78846697 0.83822223 1.0 O O113 1 0.82025816 0.82025816 0.65865872 1.0 O O114 1 0.69714421 0.52239161 0.59220870 1.0 O O115 1 0.19651495 0.19651495 0.90934561 1.0