# generated using pymatgen data_V2P2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44838220 _cell_length_b 5.44838281 _cell_length_c 9.16677709 _cell_angle_alpha 83.14107822 _cell_angle_beta 96.85892036 _cell_angle_gamma 75.19369273 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2P2O7 _chemical_formula_sum 'V4 P4 O14' _cell_volume 257.98973858 _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 0.31538000 0.31538000 0.75000000 1.0 V V1 1 0.68462000 0.68462000 0.25000000 1.0 V V2 1 0.31537700 0.31537700 0.25000000 1.0 V V3 1 0.68462300 0.68462300 0.75000000 1.0 P P4 1 0.21755100 0.78244800 0.45435500 1.0 P P5 1 0.21755200 0.78244900 0.95435500 1.0 P P6 1 0.78244800 0.21755100 0.04564500 1.0 P P7 1 0.78244900 0.21755200 0.54564500 1.0 O O8 1 0.00000000 0.00000000 0.00000000 1.0 O O9 1 0.00000000 0.00000000 0.50000000 1.0 O O10 1 0.36910500 0.63089400 0.10417500 1.0 O O11 1 0.36910600 0.63089400 0.60417500 1.0 O O12 1 0.63089400 0.36910500 0.39582500 1.0 O O13 1 0.63089400 0.36910600 0.89582500 1.0 O O14 1 0.37781000 0.91960400 0.36412300 1.0 O O15 1 0.37781400 0.91960600 0.86412600 1.0 O O16 1 0.08039400 0.62218700 0.36412600 1.0 O O17 1 0.08039600 0.62219000 0.86412300 1.0 O O18 1 0.62218700 0.08039400 0.13587400 1.0 O O19 1 0.62219000 0.08039600 0.63587700 1.0 O O20 1 0.91960400 0.37781000 0.13587600 1.0 O O21 1 0.91960600 0.37781300 0.63587400 1.0