# generated using pymatgen data_Ba2V2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76171200 _cell_length_b 5.78381204 _cell_length_c 23.00867826 _cell_angle_alpha 89.32092378 _cell_angle_beta 89.18811397 _cell_angle_gamma 61.11779156 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2V2O5 _chemical_formula_sum 'Ba10 V10 O25' _cell_volume 671.30464652 _cell_formula_units_Z 5 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 Ba Ba0 1 0.65795600 0.68461100 0.60777800 1.0 Ba Ba1 1 0.66769400 0.66625700 0.10614700 1.0 Ba Ba2 1 0.65464500 0.68935500 0.79658700 1.0 Ba Ba3 1 0.67551500 0.65453000 0.29975600 1.0 Ba Ba4 1 0.99694900 0.99788800 0.00252800 1.0 Ba Ba5 1 0.00506300 0.99538300 0.50309500 1.0 Ba Ba6 1 0.34765500 0.30749100 0.39833400 1.0 Ba Ba7 1 0.33303700 0.32779500 0.89930200 1.0 Ba Ba8 1 0.32292000 0.33134000 0.20716000 1.0 Ba Ba9 1 0.32537100 0.34731500 0.70505200 1.0 V V10 1 0.66758600 0.67454400 0.45897100 1.0 V V11 1 0.62800600 0.68142400 0.94820400 1.0 V V12 1 0.98357700 0.00895700 0.86232000 1.0 V V13 1 0.96981200 0.05168900 0.65004000 1.0 V V14 1 0.04182900 0.93583900 0.35625100 1.0 V V15 1 0.97919500 0.00452700 0.25500500 1.0 V V16 1 0.99465900 0.00542800 0.14295500 1.0 V V17 1 0.98330200 0.03419800 0.75195600 1.0 V V18 1 0.34427100 0.31642600 0.54743200 1.0 V V19 1 0.36067300 0.32126700 0.05587700 1.0 O O20 1 0.29103700 0.85525900 0.70070300 1.0 O O21 1 0.32227200 0.82609900 0.89903900 1.0 O O22 1 0.35329100 0.80643500 0.40342100 1.0 O O23 1 0.84935600 0.85010900 0.70036900 1.0 O O24 1 0.85053000 0.84557700 0.20379600 1.0 O O25 1 0.83771000 0.82334600 0.90296600 1.0 O O26 1 0.85239300 0.81044600 0.40256300 1.0 O O27 1 0.17975100 0.67197800 0.29757100 1.0 O O28 1 0.17203700 0.66601400 0.10337500 1.0 O O29 1 0.83377300 0.34020400 0.90738800 1.0 O O30 1 0.00378100 0.49680000 0.50234300 1.0 O O31 1 0.85116200 0.30148500 0.20317800 1.0 O O32 1 0.81682600 0.34373600 0.70137000 1.0 O O33 1 0.16071400 0.18156100 0.60197800 1.0 O O34 1 0.16909400 0.16412700 0.10233300 1.0 O O35 1 0.15135800 0.14962200 0.80260400 1.0 O O36 1 0.17870500 0.12643000 0.30395500 1.0 O O37 1 0.49126500 0.50551100 0.00256800 1.0 O O38 1 0.50541300 0.49673600 0.50313100 1.0 O O39 1 0.49080400 0.00748100 0.00117500 1.0 O O40 1 0.50472100 0.99707700 0.50228000 1.0 O O41 1 0.66658000 0.16633900 0.10322800 1.0 O O42 1 0.65577500 0.18066000 0.60171300 1.0 O O43 1 0.68622500 0.16232000 0.80470000 1.0 O O44 1 0.70914100 0.16787300 0.31270400 1.0