# generated using pymatgen data_VCu2BiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88955600 _cell_length_b 13.68536400 _cell_length_c 16.47856605 _cell_angle_alpha 62.75000998 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu2BiO6 _chemical_formula_sum 'V12 Cu24 Bi12 O72' _cell_volume 1581.75241863 _cell_formula_units_Z 12 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 0.52159200 0.37545400 0.31582400 1.0 V V1 1 0.97823100 0.72953000 0.45919000 1.0 V V2 1 0.49590700 0.96186500 0.34659700 1.0 V V3 1 0.00409300 0.96186500 0.84659700 1.0 V V4 1 0.47840800 0.62454600 0.68417600 1.0 V V5 1 0.52176900 0.72953000 0.95919000 1.0 V V6 1 0.02176900 0.27047000 0.54081000 1.0 V V7 1 0.02159200 0.62454600 0.18417600 1.0 V V8 1 0.99590700 0.03813500 0.15340300 1.0 V V9 1 0.47823100 0.27047000 0.04081000 1.0 V V10 1 0.50409300 0.03813500 0.65340300 1.0 V V11 1 0.97840800 0.37545400 0.81582400 1.0 Cu Cu12 1 0.18849400 0.86802600 0.05617200 1.0 Cu Cu13 1 0.18336800 0.52593200 0.39801100 1.0 Cu Cu14 1 0.81663200 0.47406800 0.60198900 1.0 Cu Cu15 1 0.79237800 0.19835500 0.73286800 1.0 Cu Cu16 1 0.19660000 0.20631300 0.74007700 1.0 Cu Cu17 1 0.31525700 0.13948500 0.44825600 1.0 Cu Cu18 1 0.31663200 0.52593200 0.89801100 1.0 Cu Cu19 1 0.20762200 0.80164500 0.26713200 1.0 Cu Cu20 1 0.68336800 0.47406800 0.10198900 1.0 Cu Cu21 1 0.68474300 0.86051500 0.55174400 1.0 Cu Cu22 1 0.30340000 0.20631300 0.24007700 1.0 Cu Cu23 1 0.31150600 0.86802600 0.55617200 1.0 Cu Cu24 1 0.80340000 0.79368700 0.25992300 1.0 Cu Cu25 1 0.81150600 0.13197400 0.94382800 1.0 Cu Cu26 1 0.68849400 0.13197400 0.44382800 1.0 Cu Cu27 1 0.18474300 0.13948500 0.94825600 1.0 Cu Cu28 1 0.81965600 0.51997400 0.39589000 1.0 Cu Cu29 1 0.18034400 0.48002600 0.60411000 1.0 Cu Cu30 1 0.69660000 0.79368700 0.75992300 1.0 Cu Cu31 1 0.29237800 0.80164500 0.76713200 1.0 Cu Cu32 1 0.68034400 0.51997400 0.89589000 1.0 Cu Cu33 1 0.31965600 0.48002600 0.10411000 1.0 Cu Cu34 1 0.70762200 0.19835500 0.23286800 1.0 Cu Cu35 1 0.81525700 0.86051500 0.05174400 1.0 Bi Bi36 1 0.48534300 0.34307200 0.56104400 1.0 Bi Bi37 1 0.51465700 0.65692800 0.43895600 1.0 Bi Bi38 1 0.01388800 0.03181800 0.37803000 1.0 Bi Bi39 1 0.51388800 0.96818200 0.12197000 1.0 Bi Bi40 1 0.51579300 0.33854800 0.78708700 1.0 Bi Bi41 1 0.48420700 0.66145200 0.21291300 1.0 Bi Bi42 1 0.01465700 0.34307200 0.06104400 1.0 Bi Bi43 1 0.98611200 0.96818200 0.62197000 1.0 Bi Bi44 1 0.48611200 0.03181800 0.87803000 1.0 Bi Bi45 1 0.98534300 0.65692800 0.93895600 1.0 Bi Bi46 1 0.01579300 0.66145200 0.71291300 1.0 Bi Bi47 1 0.98420700 0.33854800 0.28708700 1.0 O O48 1 0.50013800 0.76991400 0.83818500 1.0 O O49 1 0.68020100 0.95348300 0.69512500 1.0 O O50 1 0.72051600 0.76647100 0.97630900 1.0 O O51 1 0.12928900 0.43275800 0.85438100 1.0 O O52 1 0.32061300 0.34713200 0.67134100 1.0 O O53 1 0.87036700 0.20257400 0.51186500 1.0 O O54 1 0.77948400 0.76647100 0.47630900 1.0 O O55 1 0.32642400 0.95843900 0.69911100 1.0 O O56 1 0.00559100 0.56553300 0.30556700 1.0 O O57 1 0.98884800 0.14556400 0.18407000 1.0 O O58 1 0.50373300 0.58441700 0.02982500 1.0 O O59 1 0.17446200 0.00529200 0.50212600 1.0 O O60 1 0.99986200 0.76991400 0.33818500 1.0 O O61 1 0.18020100 0.04651700 0.80487500 1.0 O O62 1 0.67637400 0.34166600 0.67082800 1.0 O O63 1 0.00373300 0.41558300 0.47017500 1.0 O O64 1 0.99440900 0.43446700 0.69443300 1.0 O O65 1 0.77996500 0.40506100 0.84275900 1.0 O O66 1 0.33793900 0.81790500 0.16075300 1.0 O O67 1 0.99862500 0.22892500 0.86563300 1.0 O O68 1 0.62928900 0.56724200 0.64561900 1.0 O O69 1 0.82642400 0.04156100 0.80088900 1.0 O O70 1 0.81979900 0.95348300 0.19512500 1.0 O O71 1 0.50137500 0.22892500 0.36563300 1.0 O O72 1 0.87071100 0.56724200 0.14561900 1.0 O O73 1 0.22051600 0.23352900 0.52369100 1.0 O O74 1 0.62963300 0.20257400 0.01186500 1.0 O O75 1 0.50559100 0.43446700 0.19443300 1.0 O O76 1 0.82553800 0.99470800 0.49787400 1.0 O O77 1 0.00137500 0.77107500 0.13436700 1.0 O O78 1 0.17537100 0.50303700 0.00182600 1.0 O O79 1 0.72003500 0.40506100 0.34275900 1.0 O O80 1 0.12963300 0.79742600 0.48813500 1.0 O O81 1 0.83793900 0.18209500 0.33924700 1.0 O O82 1 0.00013800 0.23008600 0.66181500 1.0 O O83 1 0.82362600 0.34166600 0.17082800 1.0 O O84 1 0.00618300 0.91047200 0.96713700 1.0 O O85 1 0.82061300 0.65286800 0.82865900 1.0 O O86 1 0.17357600 0.95843900 0.19911100 1.0 O O87 1 0.32553800 0.00529200 0.00212600 1.0 O O88 1 0.83613200 0.81176100 0.65529600 1.0 O O89 1 0.22003500 0.59493900 0.15724100 1.0 O O90 1 0.48884800 0.85443600 0.31593000 1.0 O O91 1 0.49986200 0.23008600 0.16181500 1.0 O O92 1 0.17938700 0.34713200 0.17134100 1.0 O O93 1 0.99381700 0.08952800 0.03286300 1.0 O O94 1 0.49626700 0.41558300 0.97017500 1.0 O O95 1 0.27948400 0.23352900 0.02369100 1.0 O O96 1 0.37036700 0.79742600 0.98813500 1.0 O O97 1 0.67446200 0.99470800 0.99787400 1.0 O O98 1 0.16206100 0.81790500 0.66075300 1.0 O O99 1 0.99626700 0.58441700 0.52982500 1.0 O O100 1 0.82462900 0.49696300 0.99817400 1.0 O O101 1 0.67537100 0.49696300 0.49817400 1.0 O O102 1 0.66206100 0.18209500 0.83924700 1.0 O O103 1 0.32462900 0.50303700 0.50182600 1.0 O O104 1 0.67938700 0.65286800 0.32865900 1.0 O O105 1 0.33613200 0.18823900 0.84470400 1.0 O O106 1 0.31979900 0.04651700 0.30487500 1.0 O O107 1 0.51115200 0.14556400 0.68407000 1.0 O O108 1 0.16386800 0.18823900 0.34470400 1.0 O O109 1 0.01115200 0.85443600 0.81593000 1.0 O O110 1 0.37071100 0.43275800 0.35438100 1.0 O O111 1 0.17637400 0.65833400 0.82917200 1.0 O O112 1 0.49381700 0.91047200 0.46713700 1.0 O O113 1 0.50618300 0.08952800 0.53286300 1.0 O O114 1 0.32362600 0.65833400 0.32917200 1.0 O O115 1 0.49862500 0.77107500 0.63436700 1.0 O O116 1 0.49440900 0.56553300 0.80556700 1.0 O O117 1 0.27996500 0.59493900 0.65724100 1.0 O O118 1 0.66386800 0.81176100 0.15529600 1.0 O O119 1 0.67357600 0.04156100 0.30088900 1.0