# generated using pymatgen data_FeBP2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29406577 _cell_length_b 9.29406577 _cell_length_c 15.53612500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999839 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBP2O11 _chemical_formula_sum 'Fe6 B6 P12 O66' _cell_volume 1162.21059130 _cell_formula_units_Z 6 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 0.43998300 0.87996600 0.25000000 1.0 Fe Fe1 1 0.12003400 0.56001700 0.58333300 1.0 Fe Fe2 1 0.56001700 0.12003400 0.75000000 1.0 Fe Fe3 1 0.87996600 0.43998300 0.08333300 1.0 Fe Fe4 1 0.43998300 0.56001700 0.91666700 1.0 Fe Fe5 1 0.56001700 0.43998300 0.41666700 1.0 B B6 1 0.15254900 0.30509900 0.25000000 1.0 B B7 1 0.69490100 0.84745100 0.58333300 1.0 B B8 1 0.84745100 0.69490100 0.75000000 1.0 B B9 1 0.30509900 0.15254900 0.08333300 1.0 B B10 1 0.15254900 0.84745100 0.91666700 1.0 B B11 1 0.84745100 0.15254900 0.41666700 1.0 P P12 1 0.20923800 0.38559100 0.07980000 1.0 P P13 1 0.61440900 0.82364700 0.41313300 1.0 P P14 1 0.79076200 0.61440900 0.57980000 1.0 P P15 1 0.38559100 0.20923800 0.25353300 1.0 P P16 1 0.17635300 0.79076200 0.74646700 1.0 P P17 1 0.38559100 0.17635300 0.91313300 1.0 P P18 1 0.82364700 0.61440900 0.92020000 1.0 P P19 1 0.61440900 0.79076200 0.75353300 1.0 P P20 1 0.82364700 0.20923800 0.24646700 1.0 P P21 1 0.17635300 0.38559100 0.42020000 1.0 P P22 1 0.79076200 0.17635300 0.58686700 1.0 P P23 1 0.20923800 0.82364700 0.08686700 1.0 O O24 1 0.05669500 0.38998800 0.04888900 1.0 O O25 1 0.61001200 0.66670700 0.38222300 1.0 O O26 1 0.94330500 0.61001200 0.54888900 1.0 O O27 1 0.38998800 0.05669500 0.28444400 1.0 O O28 1 0.33329300 0.94330500 0.71555600 1.0 O O29 1 0.38998800 0.33329300 0.88222300 1.0 O O30 1 0.66670700 0.61001200 0.95111100 1.0 O O31 1 0.61001200 0.94330500 0.78444400 1.0 O O32 1 0.66670700 0.05669500 0.21555600 1.0 O O33 1 0.33329300 0.38998800 0.45111100 1.0 O O34 1 0.94330500 0.33329300 0.61777700 1.0 O O35 1 0.05669500 0.66670700 0.11777700 1.0 O O36 1 0.18921900 0.21198000 0.05983800 1.0 O O37 1 0.78802000 0.97724000 0.39317100 1.0 O O38 1 0.81078100 0.78802000 0.55983800 1.0 O O39 1 0.21198000 0.18921900 0.27349500 1.0 O O40 1 0.02276000 0.81078100 0.72650500 1.0 O O41 1 0.21198000 0.02276000 0.89317100 1.0 O O42 1 0.97724000 0.78802000 0.94016200 1.0 O O43 1 0.78802000 0.81078100 0.77349500 1.0 O O44 1 0.97724000 0.18921900 0.22650500 1.0 O O45 1 0.02276000 0.21198000 0.44016200 1.0 O O46 1 0.81078100 0.02276000 0.60682900 1.0 O O47 1 0.18921900 0.97724000 0.10682900 1.0 O O48 1 0.41818400 0.17762800 0.01124900 1.0 O O49 1 0.82237200 0.24055600 0.34458300 1.0 O O50 1 0.58181600 0.82237200 0.51124900 1.0 O O51 1 0.17762800 0.41818400 0.32208400 1.0 O O52 1 0.75944400 0.58181600 0.67791600 1.0 O O53 1 0.17762800 0.75944400 0.84458300 1.0 O O54 1 0.24055600 0.82237200 0.98875100 1.0 O O55 1 0.82237200 0.58181600 0.82208400 1.0 O O56 1 0.24055600 0.41818400 0.17791600 1.0 O O57 1 0.75944400 0.17762800 0.48875100 1.0 O O58 1 0.58181600 0.75944400 0.65541700 1.0 O O59 1 0.41818400 0.24055600 0.15541700 1.0 O O60 1 0.37625100 0.51865600 0.03708200 1.0 O O61 1 0.48134400 0.85759500 0.37041500 1.0 O O62 1 0.62374900 0.48134400 0.53708200 1.0 O O63 1 0.51865600 0.37625100 0.29625200 1.0 O O64 1 0.14240500 0.62374900 0.70374800 1.0 O O65 1 0.51865600 0.14240500 0.87041500 1.0 O O66 1 0.85759500 0.48134400 0.96291800 1.0 O O67 1 0.48134400 0.62374900 0.79625200 1.0 O O68 1 0.85759500 0.37625100 0.20374800 1.0 O O69 1 0.14240500 0.51865600 0.46291800 1.0 O O70 1 0.62374900 0.14240500 0.62958500 1.0 O O71 1 0.37625100 0.85759500 0.12958500 1.0 O O72 1 0.50537100 0.23796300 0.43988000 1.0 O O73 1 0.76203700 0.26740800 0.77321300 1.0 O O74 1 0.49462900 0.76203700 0.93988000 1.0 O O75 1 0.23796300 0.50537100 0.89345400 1.0 O O76 1 0.73259200 0.49462900 0.10654600 1.0 O O77 1 0.23796300 0.73259200 0.27321300 1.0 O O78 1 0.26740800 0.76203700 0.56012000 1.0 O O79 1 0.76203700 0.49462900 0.39345400 1.0 O O80 1 0.26740800 0.50537100 0.60654600 1.0 O O81 1 0.73259200 0.23796300 0.06012000 1.0 O O82 1 0.49462900 0.73259200 0.22678700 1.0 O O83 1 0.50537100 0.26740800 0.72678700 1.0 O O84 1 0.91177100 0.82354200 0.25000000 1.0 O O85 1 0.17645800 0.08822900 0.58333300 1.0 O O86 1 0.08822900 0.17645800 0.75000000 1.0 O O87 1 0.82354200 0.91177100 0.08333300 1.0 O O88 1 0.91177100 0.08822900 0.91666700 1.0 O O89 1 0.08822900 0.91177100 0.41666700 1.0