# generated using pymatgen data_Fe9BP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35027300 _cell_length_b 6.70702703 _cell_length_c 18.75819128 _cell_angle_alpha 90.14032242 _cell_angle_beta 96.26426780 _cell_angle_gamma 108.81137320 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe9BP2 _chemical_formula_sum 'Fe36 B4 P8' _cell_volume 514.57510410 _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 0.93723900 0.40033900 0.98955700 1.0 Fe Fe1 1 0.27095400 0.39298100 0.65741000 1.0 Fe Fe2 1 0.60192000 0.39567900 0.32233600 1.0 Fe Fe3 1 0.90675900 0.60274800 0.68582100 1.0 Fe Fe4 1 0.23329600 0.60300500 0.34866400 1.0 Fe Fe5 1 0.54459300 0.60017900 0.00778700 1.0 Fe Fe6 1 0.15731300 0.94464000 0.87275600 1.0 Fe Fe7 1 0.49349600 0.94730700 0.53828100 1.0 Fe Fe8 1 0.82450400 0.94757100 0.20220900 1.0 Fe Fe9 1 0.67431000 0.06113900 0.79618800 1.0 Fe Fe10 1 0.99657800 0.05384800 0.46158600 1.0 Fe Fe11 1 0.32992800 0.05113200 0.12655400 1.0 Fe Fe12 1 0.57284600 0.39134500 0.77645400 1.0 Fe Fe13 1 0.90436200 0.38759700 0.44104500 1.0 Fe Fe14 1 0.23764800 0.38517700 0.10638400 1.0 Fe Fe15 1 0.74522900 0.61007300 0.89137500 1.0 Fe Fe16 1 0.07822100 0.60484500 0.55646000 1.0 Fe Fe17 1 0.40961800 0.60515900 0.22020600 1.0 Fe Fe18 1 0.12131500 0.34311000 0.87044000 1.0 Fe Fe19 1 0.44385900 0.32719200 0.53175900 1.0 Fe Fe20 1 0.77624400 0.32765200 0.19682300 1.0 Fe Fe21 1 0.24742600 0.65948000 0.80033800 1.0 Fe Fe22 1 0.57302200 0.65360700 0.46040400 1.0 Fe Fe23 1 0.89981000 0.65032300 0.12258800 1.0 Fe Fe24 1 0.33448700 0.18709200 0.99507000 1.0 Fe Fe25 1 0.67431600 0.19029500 0.66351500 1.0 Fe Fe26 1 0.00237000 0.18902700 0.32812500 1.0 Fe Fe27 1 0.48684200 0.81853900 0.67737400 1.0 Fe Fe28 1 0.81731100 0.81789500 0.34132600 1.0 Fe Fe29 1 0.15287200 0.81194700 0.00292200 1.0 Fe Fe30 1 0.69696200 0.95612000 0.93632600 1.0 Fe Fe31 1 0.05966600 0.97451000 0.60684900 1.0 Fe Fe32 1 0.39093600 0.97492600 0.27203100 1.0 Fe Fe33 1 0.13959700 0.04568500 0.73191100 1.0 Fe Fe34 1 0.46724000 0.04514700 0.39729500 1.0 Fe Fe35 1 0.79868400 0.04159600 0.06093600 1.0 B B36 1 0.03455400 0.34018500 0.75313400 1.0 B B37 1 0.36087300 0.33647800 0.41689400 1.0 B B38 1 0.69286600 0.33182200 0.08243600 1.0 B B39 1 0.27513300 0.66264800 0.91481900 1.0 P P40 1 0.62160800 0.66079200 0.58530100 1.0 P P41 1 0.95330000 0.66324100 0.24802900 1.0 P P42 1 0.57792100 0.24918500 0.88952300 1.0 P P43 1 0.91185600 0.24688300 0.55630700 1.0 P P44 1 0.24392100 0.24722300 0.22128900 1.0 P P45 1 0.77644300 0.75631600 0.78072100 1.0 P P46 1 0.10986200 0.75431000 0.44561800 1.0 P P47 1 0.43988800 0.75201000 0.10882500 1.0