# generated using pymatgen data_Fe3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37400909 _cell_length_b 10.07284893 _cell_length_c 10.95585321 _cell_angle_alpha 91.90678085 _cell_angle_beta 89.99773522 _cell_angle_gamma 71.54502746 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3(PO4)4 _chemical_formula_sum 'Fe6 P8 O32' _cell_volume 666.82870624 _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 Fe Fe0 1 0.37093900 0.30122700 0.24945000 1.0 Fe Fe1 1 0.62906100 0.69877300 0.75055000 1.0 Fe Fe2 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe3 1 0.32790600 0.30128500 0.74945000 1.0 Fe Fe4 1 0.67209400 0.69871600 0.25055000 1.0 Fe Fe5 1 0.00000000 0.50000000 0.50000000 1.0 P P6 1 0.42381700 0.82971500 0.00813900 1.0 P P7 1 0.18160500 0.59717900 0.75538000 1.0 P P8 1 0.25358700 0.17027600 0.49184600 1.0 P P9 1 0.77872300 0.40292400 0.74459600 1.0 P P10 1 0.74641300 0.82972400 0.50815400 1.0 P P11 1 0.81839500 0.40282100 0.24462000 1.0 P P12 1 0.22127700 0.59707600 0.25540400 1.0 P P13 1 0.57618300 0.17028500 0.99186100 1.0 O O14 1 0.19096000 0.03593200 0.46409400 1.0 O O15 1 0.62962100 0.31341900 0.72080500 1.0 O O16 1 0.76195900 0.51048800 0.63870200 1.0 O O17 1 0.22662300 0.96407400 0.03616200 1.0 O O18 1 0.41392700 0.17437900 0.88645400 1.0 O O19 1 0.67341400 0.31227700 0.26862500 1.0 O O20 1 0.34625600 0.69908500 0.00827000 1.0 O O21 1 0.23804100 0.48951200 0.36129800 1.0 O O22 1 0.72772700 0.51034500 0.13862100 1.0 O O23 1 0.98553000 0.68779400 0.23138500 1.0 O O24 1 0.77337700 0.03592500 0.96383800 1.0 O O25 1 0.20531900 0.48473800 0.64529800 1.0 O O26 1 0.05720300 0.31323500 0.22092500 1.0 O O27 1 0.80904000 0.96406800 0.53590600 1.0 O O28 1 0.37037900 0.68658100 0.27919500 1.0 O O29 1 0.58607300 0.82562100 0.11354600 1.0 O O30 1 0.63189400 0.84112900 0.38397000 1.0 O O31 1 0.79468100 0.51526200 0.35470200 1.0 O O32 1 0.41183800 0.17445400 0.38652900 1.0 O O33 1 0.47311500 0.15893100 0.11598900 1.0 O O34 1 0.69001400 0.51530200 0.85473000 1.0 O O35 1 0.94279700 0.68676500 0.77907500 1.0 O O36 1 0.52688500 0.84106900 0.88401100 1.0 O O37 1 0.36810600 0.15887100 0.61603000 1.0 O O38 1 0.01447000 0.31220600 0.76861500 1.0 O O39 1 0.95470800 0.69894500 0.50821800 1.0 O O40 1 0.58816200 0.82554600 0.61347100 1.0 O O41 1 0.65374400 0.30091500 0.99173000 1.0 O O42 1 0.32658600 0.68772300 0.73137500 1.0 O O43 1 0.30998600 0.48469800 0.14527000 1.0 O O44 1 0.04529200 0.30105500 0.49178200 1.0 O O45 1 0.27227300 0.48965500 0.86137900 1.0