# generated using pymatgen data_Fe5P3O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35166612 _cell_length_b 7.35166612 _cell_length_c 16.75012300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 138.40973446 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5P3O17 _chemical_formula_sum 'Fe10 P6 O34' _cell_volume 600.93326460 _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 0.99759900 0.99759900 0.50000000 1.0 Fe Fe1 1 0.99759900 0.99759900 0.00000000 1.0 Fe Fe2 1 0.92880600 0.07312800 0.65664800 1.0 Fe Fe3 1 0.07312800 0.92880600 0.34335200 1.0 Fe Fe4 1 0.92880600 0.07312800 0.84335200 1.0 Fe Fe5 1 0.07312800 0.92880600 0.15664800 1.0 Fe Fe6 1 0.43404400 0.08868500 0.63937100 1.0 Fe Fe7 1 0.08868500 0.43404400 0.36062900 1.0 Fe Fe8 1 0.43404400 0.08868500 0.86062900 1.0 Fe Fe9 1 0.08868500 0.43404400 0.13937100 1.0 P P10 1 0.34234900 0.64655200 0.54407300 1.0 P P11 1 0.64655200 0.34234900 0.45592700 1.0 P P12 1 0.34234900 0.64655200 0.95592700 1.0 P P13 1 0.64655200 0.34234900 0.04407300 1.0 P P14 1 0.52360400 0.48882200 0.75000000 1.0 P P15 1 0.48882200 0.52360400 0.25000000 1.0 O O16 1 0.65300000 0.82603700 0.55789000 1.0 O O17 1 0.82603700 0.65300000 0.44211000 1.0 O O18 1 0.65300000 0.82603700 0.94211000 1.0 O O19 1 0.82603700 0.65300000 0.05789000 1.0 O O20 1 0.33991600 0.16051800 0.43662500 1.0 O O21 1 0.16051800 0.33991600 0.56337500 1.0 O O22 1 0.33991600 0.16051800 0.06337500 1.0 O O23 1 0.16051800 0.33991600 0.93662500 1.0 O O24 1 0.65951100 0.28890000 0.54243300 1.0 O O25 1 0.28890000 0.65951100 0.45756700 1.0 O O26 1 0.65951100 0.28890000 0.95756700 1.0 O O27 1 0.28890000 0.65951100 0.04243300 1.0 O O28 1 0.26792700 0.73662900 0.60468700 1.0 O O29 1 0.73662900 0.26792700 0.39531300 1.0 O O30 1 0.26792700 0.73662900 0.89531300 1.0 O O31 1 0.73662900 0.26792700 0.10468700 1.0 O O32 1 0.75873100 0.17804300 0.68890000 1.0 O O33 1 0.17804300 0.75873100 0.31110000 1.0 O O34 1 0.75873100 0.17804300 0.81110000 1.0 O O35 1 0.17804300 0.75873100 0.18890000 1.0 O O36 1 0.70443600 0.80086400 0.75000000 1.0 O O37 1 0.80086400 0.70443600 0.25000000 1.0 O O38 1 0.30798100 0.20810900 0.25000000 1.0 O O39 1 0.20810900 0.30798100 0.75000000 1.0 O O40 1 0.08794800 0.96772600 0.60879900 1.0 O O41 1 0.96772600 0.08794800 0.39120100 1.0 O O42 1 0.08794800 0.96772600 0.89120100 1.0 O O43 1 0.96772600 0.08794800 0.10879900 1.0 O O44 1 0.59059700 0.44145500 0.67246400 1.0 O O45 1 0.44145500 0.59059700 0.32753600 1.0 O O46 1 0.59059700 0.44145500 0.82753600 1.0 O O47 1 0.44145500 0.59059700 0.17246400 1.0 O O48 1 0.33895700 0.96181900 0.75000000 1.0 O O49 1 0.96181900 0.33895700 0.25000000 1.0