# generated using pymatgen data_FeP2H2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73342600 _cell_length_b 5.25771400 _cell_length_c 14.67291648 _cell_angle_alpha 85.00961490 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP2H2O9 _chemical_formula_sum 'Fe4 P8 H8 O36' _cell_volume 671.19489500 _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 0.96421400 0.75798600 0.85139400 1.0 Fe Fe1 1 0.46421400 0.24201400 0.64860600 1.0 Fe Fe2 1 0.03578600 0.24201400 0.14860600 1.0 Fe Fe3 1 0.53578600 0.75798600 0.35139400 1.0 P P4 1 0.66436800 0.77343000 0.56109400 1.0 P P5 1 0.16436800 0.22657000 0.93890600 1.0 P P6 1 0.33563200 0.22657000 0.43890600 1.0 P P7 1 0.83563200 0.77343000 0.06109400 1.0 P P8 1 0.74109800 0.27918000 0.81212600 1.0 P P9 1 0.24109800 0.72082000 0.68787400 1.0 P P10 1 0.25890200 0.72082000 0.18787400 1.0 P P11 1 0.75890200 0.27918000 0.31212600 1.0 H H12 1 0.83292700 0.67782800 0.66874400 1.0 H H13 1 0.33292700 0.32217200 0.83125600 1.0 H H14 1 0.16707300 0.32217200 0.33125600 1.0 H H15 1 0.66707300 0.67782800 0.16874400 1.0 H H16 1 0.76383600 0.18616800 0.96171700 1.0 H H17 1 0.26383600 0.81383200 0.53828300 1.0 H H18 1 0.23616400 0.81383200 0.03828300 1.0 H H19 1 0.73616400 0.18616800 0.46171700 1.0 O O20 1 0.62149200 0.04878300 0.57992100 1.0 O O21 1 0.12149200 0.95121700 0.92007900 1.0 O O22 1 0.37850800 0.95121700 0.42007900 1.0 O O23 1 0.87850800 0.04878300 0.07992100 1.0 O O24 1 0.54870600 0.57775500 0.60147300 1.0 O O25 1 0.04870600 0.42224500 0.89852700 1.0 O O26 1 0.45129400 0.42224500 0.39852700 1.0 O O27 1 0.95129400 0.57775500 0.10147300 1.0 O O28 1 0.68092000 0.75944900 0.45727800 1.0 O O29 1 0.18092000 0.24055100 0.04272200 1.0 O O30 1 0.31908000 0.24055100 0.54272200 1.0 O O31 1 0.81908000 0.75944900 0.95727800 1.0 O O32 1 0.83023200 0.71316700 0.60064800 1.0 O O33 1 0.33023200 0.28683300 0.89935200 1.0 O O34 1 0.16976800 0.28683300 0.39935200 1.0 O O35 1 0.66976800 0.71316700 0.10064800 1.0 O O36 1 0.85931700 0.07380500 0.79331200 1.0 O O37 1 0.35931700 0.92619500 0.70668800 1.0 O O38 1 0.14068300 0.92619500 0.20668800 1.0 O O39 1 0.64068300 0.07380500 0.29331200 1.0 O O40 1 0.80572800 0.54868600 0.78332600 1.0 O O41 1 0.30572800 0.45131400 0.71667400 1.0 O O42 1 0.19427200 0.45131400 0.21667400 1.0 O O43 1 0.69427200 0.54868600 0.28332600 1.0 O O44 1 0.59277700 0.23563000 0.76049900 1.0 O O45 1 0.09277700 0.76437000 0.73950100 1.0 O O46 1 0.40722300 0.76437000 0.23950100 1.0 O O47 1 0.90722300 0.23563000 0.26049900 1.0 O O48 1 0.69248900 0.26736500 0.91637200 1.0 O O49 1 0.19248900 0.73263500 0.58362800 1.0 O O50 1 0.30751100 0.73263500 0.08362800 1.0 O O51 1 0.80751100 0.26736500 0.41637200 1.0 O O52 1 0.50462400 0.77303900 0.88917400 1.0 O O53 1 0.00462400 0.22696100 0.61082600 1.0 O O54 1 0.49537600 0.22696100 0.11082600 1.0 O O55 1 0.99537600 0.77303900 0.38917400 1.0