# generated using pymatgen data_V2B(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.15680768 _cell_length_b 14.15680768 _cell_length_c 7.62706600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999852 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2B(PO4)3 _chemical_formula_sum 'V12 B6 P18 O72' _cell_volume 1323.78912003 _cell_formula_units_Z 6 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 0.97504300 0.65538400 0.55461900 1.0 V V1 1 0.31965900 0.97504300 0.05461900 1.0 V V2 1 0.97504300 0.65538400 0.94538100 1.0 V V3 1 0.02495700 0.34461600 0.05461900 1.0 V V4 1 0.68034100 0.02495700 0.55461900 1.0 V V5 1 0.68034100 0.02495700 0.94538100 1.0 V V6 1 0.34461600 0.31965900 0.94538100 1.0 V V7 1 0.02495700 0.34461600 0.44538100 1.0 V V8 1 0.65538400 0.68034100 0.44538100 1.0 V V9 1 0.65538400 0.68034100 0.05461900 1.0 V V10 1 0.34461600 0.31965900 0.55461900 1.0 V V11 1 0.31965900 0.97504300 0.44538100 1.0 B B12 1 0.33333300 0.66666700 0.25000000 1.0 B B13 1 0.66666700 0.33333300 0.25000000 1.0 B B14 1 0.33333300 0.66666700 0.75000000 1.0 B B15 1 0.66666700 0.33333300 0.75000000 1.0 B B16 1 0.00000000 0.00000000 0.25000000 1.0 B B17 1 0.00000000 0.00000000 0.75000000 1.0 P P18 1 0.41018400 0.51650000 0.25000000 1.0 P P19 1 0.22148600 0.44468100 0.75000000 1.0 P P20 1 0.22319600 0.77851400 0.75000000 1.0 P P21 1 0.55531900 0.77680400 0.75000000 1.0 P P22 1 0.85359900 0.77879200 0.75000000 1.0 P P23 1 0.07480700 0.85359900 0.25000000 1.0 P P24 1 0.92519300 0.14640100 0.75000000 1.0 P P25 1 0.14640100 0.22120800 0.25000000 1.0 P P26 1 0.89368400 0.41018400 0.75000000 1.0 P P27 1 0.48350000 0.89368400 0.25000000 1.0 P P28 1 0.10631600 0.58981600 0.25000000 1.0 P P29 1 0.44468100 0.22319600 0.25000000 1.0 P P30 1 0.51650000 0.10631600 0.75000000 1.0 P P31 1 0.77680400 0.22148600 0.25000000 1.0 P P32 1 0.77851400 0.55531900 0.25000000 1.0 P P33 1 0.58981600 0.48350000 0.75000000 1.0 P P34 1 0.22120800 0.07480700 0.75000000 1.0 P P35 1 0.77879200 0.92519300 0.25000000 1.0 O O36 1 0.32608700 0.56598900 0.75000000 1.0 O O37 1 0.56590600 0.72518600 0.91803600 1.0 O O38 1 0.76009800 0.32608700 0.25000000 1.0 O O39 1 0.57069600 0.23583700 0.75000000 1.0 O O40 1 0.43409400 0.27481400 0.41803600 1.0 O O41 1 0.63243300 0.90236500 0.75000000 1.0 O O42 1 0.45192100 0.06904200 0.91968700 1.0 O O43 1 0.69592700 0.79894900 0.25000000 1.0 O O44 1 0.96650200 0.89135800 0.75000000 1.0 O O45 1 0.26993200 0.36756700 0.75000000 1.0 O O46 1 0.06904200 0.61712100 0.08031300 1.0 O O47 1 0.20643300 0.22942400 0.41875600 1.0 O O48 1 0.23583700 0.66514000 0.25000000 1.0 O O49 1 0.92485600 0.03349800 0.75000000 1.0 O O50 1 0.76416300 0.33486000 0.75000000 1.0 O O51 1 0.45192100 0.06904200 0.58031300 1.0 O O52 1 0.46773700 0.39417900 0.75000000 1.0 O O53 1 0.03349800 0.10864200 0.25000000 1.0 O O54 1 0.77057600 0.97701000 0.08124400 1.0 O O55 1 0.72518600 0.15928000 0.08196400 1.0 O O56 1 0.02299000 0.79356700 0.41875600 1.0 O O57 1 0.38287900 0.45192100 0.41968700 1.0 O O58 1 0.06904200 0.61712100 0.41968700 1.0 O O59 1 0.10864200 0.07514400 0.75000000 1.0 O O60 1 0.09763500 0.73006800 0.75000000 1.0 O O61 1 0.42930400 0.76416300 0.25000000 1.0 O O62 1 0.79356700 0.77057600 0.58124400 1.0 O O63 1 0.54807900 0.93095800 0.08031300 1.0 O O64 1 0.43409400 0.27481400 0.08196400 1.0 O O65 1 0.07514400 0.96650200 0.25000000 1.0 O O66 1 0.90236500 0.26993200 0.25000000 1.0 O O67 1 0.84072000 0.56590600 0.08196400 1.0 O O68 1 0.20105100 0.89697800 0.25000000 1.0 O O69 1 0.67391300 0.43401100 0.25000000 1.0 O O70 1 0.60582100 0.07355800 0.75000000 1.0 O O71 1 0.92644200 0.53226300 0.75000000 1.0 O O72 1 0.56598900 0.23990200 0.25000000 1.0 O O73 1 0.73006800 0.63243300 0.25000000 1.0 O O74 1 0.27481400 0.84072000 0.58196400 1.0 O O75 1 0.15928000 0.43409400 0.58196400 1.0 O O76 1 0.22942400 0.02299000 0.91875600 1.0 O O77 1 0.61712100 0.54807900 0.91968700 1.0 O O78 1 0.93095800 0.38287900 0.91968700 1.0 O O79 1 0.38287900 0.45192100 0.08031300 1.0 O O80 1 0.22942400 0.02299000 0.58124400 1.0 O O81 1 0.02299000 0.79356700 0.08124400 1.0 O O82 1 0.97701000 0.20643300 0.58124400 1.0 O O83 1 0.54807900 0.93095800 0.41968700 1.0 O O84 1 0.10302200 0.30407300 0.25000000 1.0 O O85 1 0.79894900 0.10302200 0.75000000 1.0 O O86 1 0.89697800 0.69592700 0.75000000 1.0 O O87 1 0.56590600 0.72518600 0.58196400 1.0 O O88 1 0.07355800 0.46773700 0.25000000 1.0 O O89 1 0.97701000 0.20643300 0.91875600 1.0 O O90 1 0.77057600 0.97701000 0.41875600 1.0 O O91 1 0.30407300 0.20105100 0.75000000 1.0 O O92 1 0.72518600 0.15928000 0.41803600 1.0 O O93 1 0.33486000 0.57069600 0.25000000 1.0 O O94 1 0.53226300 0.60582100 0.25000000 1.0 O O95 1 0.93095800 0.38287900 0.58031300 1.0 O O96 1 0.61712100 0.54807900 0.58031300 1.0 O O97 1 0.15928000 0.43409400 0.91803600 1.0 O O98 1 0.27481400 0.84072000 0.91803600 1.0 O O99 1 0.39417900 0.92644200 0.25000000 1.0 O O100 1 0.23990200 0.67391300 0.75000000 1.0 O O101 1 0.89135800 0.92485600 0.25000000 1.0 O O102 1 0.20643300 0.22942400 0.08124400 1.0 O O103 1 0.36756700 0.09763500 0.25000000 1.0 O O104 1 0.84072000 0.56590600 0.41803600 1.0 O O105 1 0.43401100 0.76009800 0.75000000 1.0 O O106 1 0.66514000 0.42930400 0.75000000 1.0 O O107 1 0.79356700 0.77057600 0.91875600 1.0