# generated using pymatgen data_Fe3P4O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39415700 _cell_length_b 10.81786400 _cell_length_c 17.39669700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3P4O15 _chemical_formula_sum 'Fe12 P16 O60' _cell_volume 1203.34903007 _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 0.58636200 0.00606500 0.37443300 1.0 Fe Fe1 1 0.08636200 0.50606500 0.12556700 1.0 Fe Fe2 1 0.81089400 0.25908000 0.24459400 1.0 Fe Fe3 1 0.08636200 0.99393500 0.62556700 1.0 Fe Fe4 1 0.58636200 0.49393500 0.87443300 1.0 Fe Fe5 1 0.10194000 0.50692800 0.66023100 1.0 Fe Fe6 1 0.10194000 0.99307200 0.16023100 1.0 Fe Fe7 1 0.60194000 0.49307200 0.33976900 1.0 Fe Fe8 1 0.81089400 0.24092000 0.74459400 1.0 Fe Fe9 1 0.31089400 0.74092000 0.75540600 1.0 Fe Fe10 1 0.60194000 0.00692800 0.83976900 1.0 Fe Fe11 1 0.31089400 0.75908000 0.25540600 1.0 P P12 1 0.08577500 0.47555500 0.82229900 1.0 P P13 1 0.64589100 0.22731900 0.94799800 1.0 P P14 1 0.46368000 0.73565000 0.42738700 1.0 P P15 1 0.59744400 0.50373700 0.70822100 1.0 P P16 1 0.14589100 0.77268100 0.05200200 1.0 P P17 1 0.08577500 0.02444500 0.32229900 1.0 P P18 1 0.09744400 0.00373700 0.79177900 1.0 P P19 1 0.96368000 0.23565000 0.07261300 1.0 P P20 1 0.58577500 0.97555500 0.67770100 1.0 P P21 1 0.64589100 0.27268100 0.44799800 1.0 P P22 1 0.14589100 0.72731900 0.55200200 1.0 P P23 1 0.96368000 0.26435000 0.57261300 1.0 P P24 1 0.59744400 0.99626300 0.20822100 1.0 P P25 1 0.46368000 0.76435000 0.92738700 1.0 P P26 1 0.09744400 0.49626300 0.29177900 1.0 P P27 1 0.58577500 0.52444500 0.17770100 1.0 O O28 1 0.11432900 0.59042100 0.76603200 1.0 O O29 1 0.61432900 0.40957900 0.23396800 1.0 O O30 1 0.86743100 0.29432300 0.48939700 1.0 O O31 1 0.28459800 0.45708100 0.86889700 1.0 O O32 1 0.18938500 0.68909500 0.63724500 1.0 O O33 1 0.62425800 0.11050300 0.26479600 1.0 O O34 1 0.07978500 0.14210800 0.56345900 1.0 O O35 1 0.09373300 0.63537400 0.04527200 1.0 O O36 1 0.55035600 0.86884400 0.73859800 1.0 O O37 1 0.79569000 0.52892100 0.66166100 1.0 O O38 1 0.55035600 0.63115600 0.23859800 1.0 O O39 1 0.62425800 0.38949700 0.76479600 1.0 O O40 1 0.36743100 0.70567700 0.51060300 1.0 O O41 1 0.28459800 0.04291900 0.36889800 1.0 O O42 1 0.48579200 0.35788200 0.48396300 1.0 O O43 1 0.60800800 0.87380000 0.91272900 1.0 O O44 1 0.39489100 0.99318000 0.62644900 1.0 O O45 1 0.29569000 0.02892100 0.83833900 1.0 O O46 1 0.05035600 0.36884400 0.76140200 1.0 O O47 1 0.11432900 0.90957900 0.26603200 1.0 O O48 1 0.78459800 0.54291900 0.13110300 1.0 O O49 1 0.98579200 0.64211800 0.51603700 1.0 O O50 1 0.78788200 0.24327700 0.13308900 1.0 O O51 1 0.89489100 0.49318000 0.87355100 1.0 O O52 1 0.41003400 0.01617200 0.15593600 1.0 O O53 1 0.04978600 0.38952800 0.23209100 1.0 O O54 1 0.78459800 0.95708100 0.63110300 1.0 O O55 1 0.98579200 0.85788200 0.01603700 1.0 O O56 1 0.54978600 0.61047200 0.76790900 1.0 O O57 1 0.29569000 0.47107900 0.33833900 1.0 O O58 1 0.57978500 0.64210800 0.93654100 1.0 O O59 1 0.68938500 0.31090500 0.36275500 1.0 O O60 1 0.10800800 0.37380000 0.58727100 1.0 O O61 1 0.07978500 0.35789200 0.06345900 1.0 O O62 1 0.91003400 0.98382800 0.84406400 1.0 O O63 1 0.54978600 0.88952800 0.26790900 1.0 O O64 1 0.57978500 0.85789200 0.43654100 1.0 O O65 1 0.86743100 0.20567700 0.98939700 1.0 O O66 1 0.60800800 0.62620000 0.41272900 1.0 O O67 1 0.61432900 0.09042100 0.73396800 1.0 O O68 1 0.59373300 0.36462600 0.95472800 1.0 O O69 1 0.10800800 0.12620000 0.08727100 1.0 O O70 1 0.12425800 0.88949700 0.73520400 1.0 O O71 1 0.89489100 0.00682000 0.37355100 1.0 O O72 1 0.48579200 0.14211800 0.98396300 1.0 O O73 1 0.78788200 0.25672300 0.63308900 1.0 O O74 1 0.09373300 0.86462600 0.54527200 1.0 O O75 1 0.05035600 0.13115600 0.26140200 1.0 O O76 1 0.18938500 0.81090500 0.13724500 1.0 O O77 1 0.41003400 0.48382800 0.65593600 1.0 O O78 1 0.04978600 0.11047200 0.73209100 1.0 O O79 1 0.39489100 0.50682000 0.12644900 1.0 O O80 1 0.79569000 0.97107900 0.16166100 1.0 O O81 1 0.12425800 0.61050300 0.23520400 1.0 O O82 1 0.68938500 0.18909500 0.86275500 1.0 O O83 1 0.91003400 0.51617200 0.34406400 1.0 O O84 1 0.36743100 0.79432300 0.01060300 1.0 O O85 1 0.59373300 0.13537400 0.45472800 1.0 O O86 1 0.28788200 0.74327700 0.36691100 1.0 O O87 1 0.28788200 0.75672300 0.86691100 1.0