# generated using pymatgen data_Fe3P2H6O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06776500 _cell_length_b 10.17133000 _cell_length_c 11.59842200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3P2H6O11 _chemical_formula_sum 'Fe12 P8 H24 O44' _cell_volume 833.79397389 _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 0.50000000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe2 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe4 1 0.45357300 0.02754700 0.63394000 1.0 Fe Fe5 1 0.95357300 0.47245300 0.86606000 1.0 Fe Fe6 1 0.54642700 0.47245300 0.13394000 1.0 Fe Fe7 1 0.04642700 0.02754700 0.36606000 1.0 Fe Fe8 1 0.54642700 0.97245300 0.36606000 1.0 Fe Fe9 1 0.04642700 0.52754700 0.13394000 1.0 Fe Fe10 1 0.45357300 0.52754700 0.86606000 1.0 Fe Fe11 1 0.95357300 0.97245300 0.63394000 1.0 P P12 1 0.38724400 0.24000500 0.39439200 1.0 P P13 1 0.88724400 0.25999500 0.10560800 1.0 P P14 1 0.61275600 0.25999500 0.89439200 1.0 P P15 1 0.11275600 0.24000500 0.60560800 1.0 P P16 1 0.61275600 0.75999500 0.60560800 1.0 P P17 1 0.11275600 0.74000500 0.89439200 1.0 P P18 1 0.38724400 0.74000500 0.10560800 1.0 P P19 1 0.88724400 0.75999500 0.39439200 1.0 H H20 1 0.50342800 0.67954600 0.19782000 1.0 H H21 1 0.00342800 0.82045400 0.30218000 1.0 H H22 1 0.49657200 0.82045400 0.69782000 1.0 H H23 1 0.99657200 0.67954600 0.80218000 1.0 H H24 1 0.49657200 0.32045400 0.80218000 1.0 H H25 1 0.99657200 0.17954600 0.69782000 1.0 H H26 1 0.50342800 0.17954600 0.30218000 1.0 H H27 1 0.00342800 0.32045400 0.19782000 1.0 H H28 1 0.24944400 0.17583300 0.23575900 1.0 H H29 1 0.74944400 0.32416700 0.26424100 1.0 H H30 1 0.75055600 0.32416700 0.73575900 1.0 H H31 1 0.25055600 0.17583300 0.76424100 1.0 H H32 1 0.75055600 0.82416700 0.76424100 1.0 H H33 1 0.25055600 0.67583300 0.73575900 1.0 H H34 1 0.24944400 0.67583300 0.26424100 1.0 H H35 1 0.74944400 0.82416700 0.23575900 1.0 H H36 1 0.37502000 0.20802200 0.07079100 1.0 H H37 1 0.87502000 0.29197800 0.42920900 1.0 H H38 1 0.62498000 0.29197800 0.57079100 1.0 H H39 1 0.12498000 0.20802200 0.92920900 1.0 H H40 1 0.62498000 0.79197800 0.92920900 1.0 H H41 1 0.12498000 0.70802200 0.57079100 1.0 H H42 1 0.37502000 0.70802200 0.42920900 1.0 H H43 1 0.87502000 0.79197800 0.07079100 1.0 O O44 1 0.19998300 0.20611700 0.31341300 1.0 O O45 1 0.69998300 0.29388300 0.18658700 1.0 O O46 1 0.80001700 0.29388300 0.81341300 1.0 O O47 1 0.30001700 0.20611700 0.68658700 1.0 O O48 1 0.80001700 0.79388300 0.68658700 1.0 O O49 1 0.30001700 0.70611700 0.81341300 1.0 O O50 1 0.19998300 0.70611700 0.18658700 1.0 O O51 1 0.69998300 0.79388300 0.31341300 1.0 O O52 1 0.46123900 0.12780500 0.47964800 1.0 O O53 1 0.96123900 0.37219500 0.02035200 1.0 O O54 1 0.53876100 0.37219500 0.97964800 1.0 O O55 1 0.03876100 0.12780500 0.52035200 1.0 O O56 1 0.53876100 0.87219500 0.52035200 1.0 O O57 1 0.03876100 0.62780500 0.97964800 1.0 O O58 1 0.46123900 0.62780500 0.02035200 1.0 O O59 1 0.96123900 0.87219500 0.47964800 1.0 O O60 1 0.49531800 0.37209800 0.37361100 1.0 O O61 1 0.99531800 0.12790200 0.12638900 1.0 O O62 1 0.50468200 0.12790200 0.87361100 1.0 O O63 1 0.00468200 0.37209800 0.62638900 1.0 O O64 1 0.50468200 0.62790200 0.62638900 1.0 O O65 1 0.00468200 0.87209800 0.87361100 1.0 O O66 1 0.49531800 0.87209800 0.12638900 1.0 O O67 1 0.99531800 0.62790200 0.37361100 1.0 O O68 1 0.37930000 0.11862900 0.10357600 1.0 O O69 1 0.87930000 0.38137100 0.39642400 1.0 O O70 1 0.62070000 0.38137100 0.60357600 1.0 O O71 1 0.12070000 0.11862900 0.89642400 1.0 O O72 1 0.62070000 0.88137100 0.89642400 1.0 O O73 1 0.12070000 0.61862900 0.60357600 1.0 O O74 1 0.37930000 0.61862900 0.39642400 1.0 O O75 1 0.87930000 0.88137100 0.10357600 1.0 O O76 1 0.25000000 0.31543500 0.50000000 1.0 O O77 1 0.75000000 0.18456500 0.00000000 1.0 O O78 1 0.75000000 0.68456500 0.50000000 1.0 O O79 1 0.25000000 0.81543500 0.00000000 1.0 O O80 1 0.78677100 0.55015600 0.16476600 1.0 O O81 1 0.28677100 0.94984400 0.33523400 1.0 O O82 1 0.21322900 0.94984400 0.66476600 1.0 O O83 1 0.71322900 0.55015600 0.83523400 1.0 O O84 1 0.21322900 0.44984400 0.83523400 1.0 O O85 1 0.71322900 0.05015600 0.66476600 1.0 O O86 1 0.78677100 0.05015600 0.33523400 1.0 O O87 1 0.28677100 0.44984400 0.16476600 1.0