# generated using pymatgen data_V2Cu(PO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45731300 _cell_length_b 12.77864100 _cell_length_c 14.73296900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2Cu(PO5)2 _chemical_formula_sum 'V16 Cu8 P16 O80' _cell_volume 1403.96834570 _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 V V0 1 0.71464600 0.25368200 0.48783500 1.0 V V1 1 0.52768500 0.98146100 0.73622600 1.0 V V2 1 0.28535400 0.75368200 0.01216500 1.0 V V3 1 0.97231500 0.01853900 0.23622600 1.0 V V4 1 0.02768500 0.51853900 0.26377400 1.0 V V5 1 0.97231500 0.48146100 0.73622600 1.0 V V6 1 0.78535400 0.75368200 0.48783500 1.0 V V7 1 0.47231500 0.01853900 0.26377400 1.0 V V8 1 0.52768500 0.51853900 0.23622600 1.0 V V9 1 0.71464600 0.24631800 0.98783500 1.0 V V10 1 0.47231500 0.48146100 0.76377400 1.0 V V11 1 0.02768500 0.98146100 0.76377400 1.0 V V12 1 0.78535400 0.74631800 0.98783500 1.0 V V13 1 0.21464600 0.25368200 0.01216500 1.0 V V14 1 0.21464600 0.24631800 0.51216500 1.0 V V15 1 0.28535400 0.74631800 0.51216500 1.0 Cu Cu16 1 0.87480600 0.11897900 0.62724700 1.0 Cu Cu17 1 0.62519400 0.88102100 0.12724700 1.0 Cu Cu18 1 0.87480600 0.38102100 0.12724700 1.0 Cu Cu19 1 0.37480600 0.11897900 0.87275300 1.0 Cu Cu20 1 0.37480600 0.38102100 0.37275300 1.0 Cu Cu21 1 0.12519400 0.88102100 0.37275300 1.0 Cu Cu22 1 0.12519400 0.61897900 0.87275300 1.0 Cu Cu23 1 0.62519400 0.61897900 0.62724700 1.0 P P24 1 0.73625200 0.50199700 0.43611400 1.0 P P25 1 0.26374800 0.00199700 0.06388600 1.0 P P26 1 0.99992600 0.73906400 0.68689700 1.0 P P27 1 0.49992600 0.73906400 0.81310300 1.0 P P28 1 0.50007400 0.23906400 0.68689700 1.0 P P29 1 0.49992600 0.76093600 0.31310300 1.0 P P30 1 0.23625200 0.50199700 0.06388600 1.0 P P31 1 0.26374800 0.49800300 0.56388600 1.0 P P32 1 0.00007400 0.26093600 0.31310300 1.0 P P33 1 0.73625200 0.99800300 0.93611400 1.0 P P34 1 0.23625200 0.99800300 0.56388600 1.0 P P35 1 0.00007400 0.23906400 0.81310300 1.0 P P36 1 0.76374800 0.49800300 0.93611400 1.0 P P37 1 0.99992600 0.76093600 0.18689700 1.0 P P38 1 0.76374800 0.00199700 0.43611400 1.0 P P39 1 0.50007400 0.26093600 0.18689700 1.0 O O40 1 0.25394700 0.48930200 0.79360900 1.0 O O41 1 0.43084800 0.49996300 0.62837400 1.0 O O42 1 0.26770400 0.90508500 0.00278700 1.0 O O43 1 0.33061700 0.76912300 0.37470000 1.0 O O44 1 0.50409100 0.75387000 0.54266600 1.0 O O45 1 0.93084800 0.49996300 0.87162600 1.0 O O46 1 0.00409100 0.75387000 0.95733400 1.0 O O47 1 0.49590900 0.24613000 0.45733400 1.0 O O48 1 0.33061700 0.73087700 0.87470000 1.0 O O49 1 0.27612300 0.09835600 0.99929000 1.0 O O50 1 0.48825500 0.83296400 0.74835900 1.0 O O51 1 0.50409100 0.74613000 0.04266600 1.0 O O52 1 0.48825500 0.66703600 0.24835900 1.0 O O53 1 0.16982300 0.74517000 0.62845100 1.0 O O54 1 0.98825500 0.66703600 0.25164100 1.0 O O55 1 0.50915000 0.86001400 0.25110600 1.0 O O56 1 0.74605300 0.51069800 0.20639100 1.0 O O57 1 0.98825500 0.83296400 0.75164100 1.0 O O58 1 0.76770400 0.59491500 0.99721300 1.0 O O59 1 0.33017700 0.25483000 0.12845100 1.0 O O60 1 0.23229600 0.40508500 0.00278700 1.0 O O61 1 0.23229600 0.09491500 0.50278700 1.0 O O62 1 0.22387700 0.90164400 0.49929000 1.0 O O63 1 0.59094800 0.48766800 0.88026600 1.0 O O64 1 0.50915000 0.63998600 0.75110600 1.0 O O65 1 0.74605300 0.98930200 0.70639100 1.0 O O66 1 0.56915200 0.99996300 0.87162600 1.0 O O67 1 0.00915000 0.86001400 0.24889400 1.0 O O68 1 0.66982300 0.75483000 0.37154900 1.0 O O69 1 0.56915200 0.50003700 0.37162600 1.0 O O70 1 0.59094800 0.01233200 0.38026600 1.0 O O71 1 0.49085000 0.13998600 0.74889400 1.0 O O72 1 0.16938300 0.26912300 0.37470000 1.0 O O73 1 0.00409100 0.74613000 0.45733400 1.0 O O74 1 0.99085000 0.13998600 0.75110600 1.0 O O75 1 0.76770400 0.90508500 0.49721300 1.0 O O76 1 0.90905200 0.98766800 0.88026600 1.0 O O77 1 0.77612300 0.40164400 0.00071000 1.0 O O78 1 0.73229600 0.40508500 0.49721300 1.0 O O79 1 0.33017700 0.24517000 0.62845100 1.0 O O80 1 0.06915200 0.99996300 0.62837400 1.0 O O81 1 0.73229600 0.09491500 0.99721300 1.0 O O82 1 0.24605300 0.51069800 0.29360900 1.0 O O83 1 0.16938300 0.23087700 0.87470000 1.0 O O84 1 0.06915200 0.50003700 0.12837400 1.0 O O85 1 0.83017700 0.25483000 0.37154900 1.0 O O86 1 0.99590900 0.24613000 0.04266600 1.0 O O87 1 0.43084800 0.00003700 0.12837400 1.0 O O88 1 0.83061700 0.76912300 0.12530000 1.0 O O89 1 0.00915000 0.63998600 0.74889400 1.0 O O90 1 0.40905200 0.98766800 0.61973400 1.0 O O91 1 0.75394700 0.48930200 0.70639100 1.0 O O92 1 0.24605300 0.98930200 0.79360900 1.0 O O93 1 0.26770400 0.59491500 0.50278700 1.0 O O94 1 0.66938300 0.26912300 0.12530000 1.0 O O95 1 0.01174500 0.16703600 0.24835900 1.0 O O96 1 0.51174500 0.16703600 0.25164100 1.0 O O97 1 0.99085000 0.36001400 0.25110600 1.0 O O98 1 0.83061700 0.73087700 0.62530000 1.0 O O99 1 0.99590900 0.25387000 0.54266600 1.0 O O100 1 0.66982300 0.74517000 0.87154900 1.0 O O101 1 0.75394700 0.01069800 0.20639100 1.0 O O102 1 0.40905200 0.51233200 0.11973400 1.0 O O103 1 0.49590900 0.25387000 0.95733400 1.0 O O104 1 0.51174500 0.33296400 0.75164100 1.0 O O105 1 0.66938300 0.23087700 0.62530000 1.0 O O106 1 0.09094800 0.48766800 0.61973400 1.0 O O107 1 0.01174500 0.33296400 0.74835900 1.0 O O108 1 0.22387700 0.59835600 0.99929000 1.0 O O109 1 0.93084800 0.00003700 0.37162600 1.0 O O110 1 0.72387700 0.59835600 0.50071000 1.0 O O111 1 0.83017700 0.24517000 0.87154900 1.0 O O112 1 0.72387700 0.90164400 0.00071000 1.0 O O113 1 0.90905200 0.51233200 0.38026600 1.0 O O114 1 0.27612300 0.40164400 0.49929000 1.0 O O115 1 0.09094800 0.01233200 0.11973400 1.0 O O116 1 0.16982300 0.75483000 0.12845100 1.0 O O117 1 0.49085000 0.36001400 0.24889400 1.0 O O118 1 0.77612300 0.09835600 0.50071000 1.0 O O119 1 0.25394700 0.01069800 0.29360900 1.0