# generated using pymatgen data_Fe3P4O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42794600 _cell_length_b 11.00014500 _cell_length_c 17.59203200 _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 1243.90334568 _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 0.07757300 0.50837100 0.13235100 1.0 Fe Fe1 1 0.09280100 0.98241400 0.14171500 1.0 Fe Fe2 1 0.81614700 0.25912800 0.24795200 1.0 Fe Fe3 1 0.31614700 0.75912800 0.25204800 1.0 Fe Fe4 1 0.59280100 0.48241400 0.35828500 1.0 Fe Fe5 1 0.57757300 0.00837100 0.36764900 1.0 Fe Fe6 1 0.07757300 0.99162900 0.63235100 1.0 Fe Fe7 1 0.09280100 0.51758600 0.64171500 1.0 Fe Fe8 1 0.81614700 0.24087200 0.74795200 1.0 Fe Fe9 1 0.31614700 0.74087200 0.75204800 1.0 Fe Fe10 1 0.59280100 0.01758600 0.85828500 1.0 Fe Fe11 1 0.57757300 0.49162900 0.86764900 1.0 P P12 1 0.17598000 0.76621500 0.06421100 1.0 P P13 1 0.95494100 0.24387900 0.07720400 1.0 P P14 1 0.57567700 0.52372200 0.18696400 1.0 P P15 1 0.58480400 0.00144300 0.20498600 1.0 P P16 1 0.08480400 0.50144300 0.29501400 1.0 P P17 1 0.07567700 0.02372200 0.31303600 1.0 P P18 1 0.45494100 0.74387900 0.42279600 1.0 P P19 1 0.67598000 0.26621500 0.43578900 1.0 P P20 1 0.17598000 0.73378500 0.56421100 1.0 P P21 1 0.95494100 0.25612100 0.57720400 1.0 P P22 1 0.57567700 0.97627800 0.68696400 1.0 P P23 1 0.58480400 0.49855700 0.70498600 1.0 P P24 1 0.08480400 0.99855700 0.79501400 1.0 P P25 1 0.07567700 0.47627800 0.81303600 1.0 P P26 1 0.45494100 0.75612100 0.92279600 1.0 P P27 1 0.67598000 0.23378500 0.93578900 1.0 O O28 1 0.36023000 0.78098900 0.00486600 1.0 O O29 1 0.03272000 0.87625400 0.05254300 1.0 O O30 1 0.08295500 0.64039700 0.05665000 1.0 O O31 1 0.07193100 0.36401300 0.07028500 1.0 O O32 1 0.09844000 0.13614400 0.08985200 1.0 O O33 1 0.38670300 0.49739400 0.13669100 1.0 O O34 1 0.77096200 0.53367400 0.13766600 1.0 O O35 1 0.78168800 0.24953900 0.13746000 1.0 O O36 1 0.27531500 0.78885400 0.14303600 1.0 O O37 1 0.40208400 0.02158200 0.15142300 1.0 O O38 1 0.78372500 0.97810200 0.15988500 1.0 O O39 1 0.03988600 0.39637600 0.23625800 1.0 O O40 1 0.60826400 0.41713300 0.24717700 1.0 O O41 1 0.11158400 0.61253500 0.23841700 1.0 O O42 1 0.54353700 0.63841000 0.23710600 1.0 O O43 1 0.04353700 0.13841000 0.26289400 1.0 O O44 1 0.61158400 0.11253500 0.26158300 1.0 O O45 1 0.10826400 0.91713300 0.25282300 1.0 O O46 1 0.53988600 0.89637600 0.26374200 1.0 O O47 1 0.28372500 0.47810200 0.34011500 1.0 O O48 1 0.90208400 0.52158200 0.34857700 1.0 O O49 1 0.77531500 0.28885400 0.35696400 1.0 O O50 1 0.28168800 0.74953900 0.36254000 1.0 O O51 1 0.27096200 0.03367400 0.36233400 1.0 O O52 1 0.88670300 0.99739400 0.36330900 1.0 O O53 1 0.59844000 0.63614400 0.41014800 1.0 O O54 1 0.57193100 0.86401300 0.42971500 1.0 O O55 1 0.58295500 0.14039700 0.44335000 1.0 O O56 1 0.53272000 0.37625400 0.44745700 1.0 O O57 1 0.86023000 0.28098900 0.49513400 1.0 O O58 1 0.36023000 0.71901100 0.50486600 1.0 O O59 1 0.03272000 0.62374600 0.55254300 1.0 O O60 1 0.08295500 0.85960300 0.55665000 1.0 O O61 1 0.07193100 0.13598700 0.57028500 1.0 O O62 1 0.09844000 0.36385600 0.58985200 1.0 O O63 1 0.38670300 0.00260600 0.63669100 1.0 O O64 1 0.77096200 0.96632600 0.63766600 1.0 O O65 1 0.78168800 0.25046100 0.63746000 1.0 O O66 1 0.27531500 0.71114600 0.64303600 1.0 O O67 1 0.40208400 0.47841800 0.65142300 1.0 O O68 1 0.78372500 0.52189800 0.65988500 1.0 O O69 1 0.03988600 0.10362400 0.73625800 1.0 O O70 1 0.60826400 0.08286700 0.74717700 1.0 O O71 1 0.11158400 0.88746500 0.73841700 1.0 O O72 1 0.54353700 0.86159000 0.73710600 1.0 O O73 1 0.04353700 0.36159000 0.76289400 1.0 O O74 1 0.61158400 0.38746500 0.76158300 1.0 O O75 1 0.10826400 0.58286700 0.75282300 1.0 O O76 1 0.53988600 0.60362400 0.76374200 1.0 O O77 1 0.28372500 0.02189800 0.84011500 1.0 O O78 1 0.90208400 0.97841800 0.84857700 1.0 O O79 1 0.77531500 0.21114600 0.85696400 1.0 O O80 1 0.28168800 0.75046100 0.86254000 1.0 O O81 1 0.27096200 0.46632600 0.86233400 1.0 O O82 1 0.88670300 0.50260600 0.86330900 1.0 O O83 1 0.59844000 0.86385600 0.91014800 1.0 O O84 1 0.57193100 0.63598700 0.92971500 1.0 O O85 1 0.58295500 0.35960300 0.94335000 1.0 O O86 1 0.53272000 0.12374600 0.94745700 1.0 O O87 1 0.86023000 0.21901100 0.99513400 1.0