# generated using pymatgen data_V3(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03474300 _cell_length_b 7.23726100 _cell_length_c 9.57721564 _cell_angle_alpha 69.61185031 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3(P2O7)2 _chemical_formula_sum 'V6 P8 O28' _cell_volume 522.02242238 _cell_formula_units_Z 2 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 0.62925000 0.18937800 0.47337100 1.0 V V1 1 0.87075000 0.18937800 0.97337100 1.0 V V2 1 0.12925000 0.81062200 0.02662900 1.0 V V3 1 0.50000000 0.00000000 0.00000000 1.0 V V4 1 0.37075000 0.81062200 0.52662900 1.0 V V5 1 0.00000000 0.00000000 0.50000000 1.0 P P6 1 0.70938700 0.88147900 0.30417700 1.0 P P7 1 0.05087200 0.59932900 0.79260400 1.0 P P8 1 0.44912800 0.59932900 0.29260400 1.0 P P9 1 0.55087200 0.40067100 0.70739600 1.0 P P10 1 0.94912800 0.40067100 0.20739600 1.0 P P11 1 0.29061300 0.11852100 0.69582300 1.0 P P12 1 0.79061300 0.88147900 0.80417700 1.0 P P13 1 0.20938700 0.11852100 0.19582300 1.0 O O14 1 0.61444700 0.27132600 0.86447300 1.0 O O15 1 0.71049500 0.99823600 0.13355600 1.0 O O16 1 0.07888700 0.03624900 0.11083400 1.0 O O17 1 0.37672000 0.13893000 0.12270300 1.0 O O18 1 0.78950500 0.99823600 0.63355600 1.0 O O19 1 0.42111300 0.03624900 0.61083400 1.0 O O20 1 0.28950500 0.00176400 0.86644400 1.0 O O21 1 0.92111300 0.96375100 0.88916600 1.0 O O22 1 0.62328000 0.86107000 0.87729700 1.0 O O23 1 0.21049500 0.00176400 0.36644400 1.0 O O24 1 0.57888700 0.96375100 0.38916600 1.0 O O25 1 0.86231800 0.67312700 0.81125300 1.0 O O26 1 0.16032200 0.63258300 0.91164400 1.0 O O27 1 0.87672000 0.86107000 0.37729700 1.0 O O28 1 0.11444700 0.72867400 0.63552700 1.0 O O29 1 0.52202500 0.61721100 0.68246600 1.0 O O30 1 0.63768200 0.67312700 0.31125300 1.0 O O31 1 0.83967800 0.36741700 0.08835600 1.0 O O32 1 0.38555300 0.72867400 0.13552700 1.0 O O33 1 0.02202500 0.38278900 0.81753400 1.0 O O34 1 0.97797500 0.61721100 0.18246600 1.0 O O35 1 0.13768200 0.32687300 0.18874700 1.0 O O36 1 0.66032200 0.36741700 0.58835600 1.0 O O37 1 0.36231800 0.32687300 0.68874700 1.0 O O38 1 0.47797500 0.38278900 0.31753400 1.0 O O39 1 0.88555300 0.27132600 0.36447300 1.0 O O40 1 0.12328000 0.13893000 0.62270300 1.0 O O41 1 0.33967800 0.63258300 0.41164400 1.0