# generated using pymatgen data_FeP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24319900 _cell_length_b 8.34487900 _cell_length_c 13.68062103 _cell_angle_alpha 70.44504546 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP2O7 _chemical_formula_sum 'Fe4 P8 O28' _cell_volume 564.05443340 _cell_formula_units_Z 4 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 Fe Fe0 1 0.25142800 0.26750100 0.14319100 1.0 Fe Fe1 1 0.24857200 0.26750100 0.64319100 1.0 Fe Fe2 1 0.75142800 0.73249900 0.35680900 1.0 Fe Fe3 1 0.74857200 0.73249900 0.85680900 1.0 P P4 1 0.72966200 0.17069900 0.30273200 1.0 P P5 1 0.26193500 0.69754600 0.51997200 1.0 P P6 1 0.76193500 0.30245400 0.98002800 1.0 P P7 1 0.77033800 0.17069900 0.80273200 1.0 P P8 1 0.22966200 0.82930100 0.19726800 1.0 P P9 1 0.23806500 0.69754600 0.01997200 1.0 P P10 1 0.73806500 0.30245400 0.48002800 1.0 P P11 1 0.27033800 0.82930100 0.69726800 1.0 O O12 1 0.22682900 0.83160300 0.58063300 1.0 O O13 1 0.52805400 0.74145700 0.73298100 1.0 O O14 1 0.05075600 0.73137800 0.76434200 1.0 O O15 1 0.71239500 0.47987700 0.90312700 1.0 O O16 1 0.53782100 0.71579400 0.48122400 1.0 O O17 1 0.03782100 0.28420600 0.01877600 1.0 O O18 1 0.21239500 0.52012300 0.59687300 1.0 O O19 1 0.57004800 0.24783900 0.06770600 1.0 O O20 1 0.72336000 0.98516300 0.31017800 1.0 O O21 1 0.55075600 0.26862200 0.73565800 1.0 O O22 1 0.22336000 0.01483700 0.18982200 1.0 O O23 1 0.02805400 0.25854300 0.76701900 1.0 O O24 1 0.72682900 0.16839700 0.91936700 1.0 O O25 1 0.07004800 0.75216100 0.43229400 1.0 O O26 1 0.92995200 0.24783900 0.56770600 1.0 O O27 1 0.27317100 0.83160300 0.08063300 1.0 O O28 1 0.97194600 0.74145700 0.23298100 1.0 O O29 1 0.77664000 0.98516300 0.81017800 1.0 O O30 1 0.44924400 0.73137800 0.26434200 1.0 O O31 1 0.27664000 0.01483700 0.68982200 1.0 O O32 1 0.42995200 0.75216100 0.93229400 1.0 O O33 1 0.78760500 0.47987700 0.40312700 1.0 O O34 1 0.96217900 0.71579400 0.98122400 1.0 O O35 1 0.46217900 0.28420600 0.51877600 1.0 O O36 1 0.28760500 0.52012300 0.09687300 1.0 O O37 1 0.94924400 0.26862200 0.23565800 1.0 O O38 1 0.47194600 0.25854300 0.26701900 1.0 O O39 1 0.77317100 0.16839700 0.41936700 1.0