# generated using pymatgen data_Fe(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38355100 _cell_length_b 9.41193200 _cell_length_c 13.08047900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe(PO3)4 _chemical_formula_sum 'Fe4 P16 O48' _cell_volume 1032.12058374 _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 0.36314700 0.75000000 0.00000000 1.0 Fe Fe1 1 0.63685300 0.25000000 0.00000000 1.0 Fe Fe2 1 0.13685300 0.25000000 0.50000000 1.0 Fe Fe3 1 0.86314700 0.75000000 0.50000000 1.0 P P4 1 0.18678900 0.51556700 0.14814700 1.0 P P5 1 0.81321100 0.01556700 0.14814700 1.0 P P6 1 0.46015100 0.01606600 0.14786200 1.0 P P7 1 0.53984900 0.51606600 0.14786200 1.0 P P8 1 0.03984900 0.51606600 0.35213800 1.0 P P9 1 0.96015100 0.01606600 0.35213800 1.0 P P10 1 0.31321100 0.01556700 0.35185300 1.0 P P11 1 0.68678900 0.51556700 0.35185300 1.0 P P12 1 0.31321100 0.48443300 0.64814700 1.0 P P13 1 0.68678900 0.98443300 0.64814700 1.0 P P14 1 0.03984900 0.98393400 0.64786200 1.0 P P15 1 0.96015100 0.48393400 0.64786200 1.0 P P16 1 0.46015100 0.48393400 0.85213800 1.0 P P17 1 0.53984900 0.98393400 0.85213800 1.0 P P18 1 0.18678900 0.98443300 0.85185300 1.0 P P19 1 0.81321100 0.48443300 0.85185300 1.0 O O20 1 0.19589300 0.63335400 0.06970400 1.0 O O21 1 0.80410700 0.13335400 0.06970400 1.0 O O22 1 0.46907300 0.13228400 0.06903100 1.0 O O23 1 0.53092700 0.63228400 0.06903100 1.0 O O24 1 0.09398500 0.38715100 0.11589700 1.0 O O25 1 0.90601500 0.88715100 0.11589700 1.0 O O26 1 0.36821000 0.88400500 0.12158600 1.0 O O27 1 0.63179000 0.38400500 0.12158600 1.0 O O28 1 0.36366400 0.47231200 0.18532100 1.0 O O29 1 0.63633600 0.97231200 0.18532100 1.0 O O30 1 0.11574400 0.58527300 0.25116700 1.0 O O31 1 0.88425600 0.08527300 0.25116700 1.0 O O32 1 0.38425600 0.08527300 0.24883300 1.0 O O33 1 0.61574400 0.58527300 0.24883300 1.0 O O34 1 0.13633600 0.97231200 0.31467900 1.0 O O35 1 0.86366400 0.47231200 0.31467900 1.0 O O36 1 0.13179000 0.38400500 0.37841400 1.0 O O37 1 0.86821000 0.88400500 0.37841400 1.0 O O38 1 0.40601500 0.88715100 0.38410300 1.0 O O39 1 0.59398500 0.38715100 0.38410300 1.0 O O40 1 0.03092700 0.63228400 0.43096900 1.0 O O41 1 0.96907300 0.13228400 0.43096900 1.0 O O42 1 0.30410700 0.13335400 0.43029600 1.0 O O43 1 0.69589300 0.63335400 0.43029600 1.0 O O44 1 0.30410700 0.36664600 0.56970400 1.0 O O45 1 0.69589300 0.86664600 0.56970400 1.0 O O46 1 0.03092700 0.86771600 0.56903100 1.0 O O47 1 0.96907300 0.36771600 0.56903100 1.0 O O48 1 0.40601500 0.61284900 0.61589700 1.0 O O49 1 0.59398500 0.11284900 0.61589700 1.0 O O50 1 0.13179000 0.11599500 0.62158600 1.0 O O51 1 0.86821000 0.61599500 0.62158600 1.0 O O52 1 0.13633600 0.52768800 0.68532100 1.0 O O53 1 0.86366400 0.02768800 0.68532100 1.0 O O54 1 0.38425600 0.41472700 0.75116700 1.0 O O55 1 0.61574400 0.91472700 0.75116700 1.0 O O56 1 0.11574400 0.91472700 0.74883300 1.0 O O57 1 0.88425600 0.41472700 0.74883300 1.0 O O58 1 0.36366400 0.02768800 0.81467900 1.0 O O59 1 0.63633600 0.52768800 0.81467900 1.0 O O60 1 0.36821000 0.61599500 0.87841400 1.0 O O61 1 0.63179000 0.11599500 0.87841400 1.0 O O62 1 0.09398500 0.11284900 0.88410300 1.0 O O63 1 0.90601500 0.61284900 0.88410300 1.0 O O64 1 0.46907300 0.36771600 0.93096900 1.0 O O65 1 0.53092700 0.86771600 0.93096900 1.0 O O66 1 0.19589300 0.86664600 0.93029600 1.0 O O67 1 0.80410700 0.36664600 0.93029600 1.0