# generated using pymatgen data_Sc4B12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80314400 _cell_length_b 9.23398600 _cell_length_c 16.19886734 _cell_angle_alpha 79.07205429 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4B12Rh17 _chemical_formula_sum 'Sc16 B48 Rh68' _cell_volume 1586.63272959 _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 Sc Sc0 1 0.62608000 0.99567500 0.75647200 1.0 Sc Sc1 1 0.12608000 0.00432500 0.74352800 1.0 Sc Sc2 1 0.37392000 0.00432500 0.24352800 1.0 Sc Sc3 1 0.87392000 0.99567500 0.25647200 1.0 Sc Sc4 1 0.87618900 0.74734700 0.99917100 1.0 Sc Sc5 1 0.37618900 0.25265300 0.50082900 1.0 Sc Sc6 1 0.12381100 0.25265300 0.00082900 1.0 Sc Sc7 1 0.62381100 0.74734700 0.49917100 1.0 Sc Sc8 1 0.87777100 0.47225400 0.75038800 1.0 Sc Sc9 1 0.37777100 0.52774600 0.74961200 1.0 Sc Sc10 1 0.12222900 0.52774600 0.24961200 1.0 Sc Sc11 1 0.62222900 0.47225400 0.25038800 1.0 Sc Sc12 1 0.86132100 0.22939100 0.51373700 1.0 Sc Sc13 1 0.36132100 0.77060900 0.98626300 1.0 Sc Sc14 1 0.13867900 0.77060900 0.48626300 1.0 Sc Sc15 1 0.63867900 0.22939100 0.01373700 1.0 B B16 1 0.54747200 0.99657300 0.59668400 1.0 B B17 1 0.04747200 0.00342700 0.90331600 1.0 B B18 1 0.45252800 0.00342700 0.40331600 1.0 B B19 1 0.95252800 0.99657300 0.09668400 1.0 B B20 1 0.22571100 0.99459400 0.59088700 1.0 B B21 1 0.72571100 0.00540600 0.90911300 1.0 B B22 1 0.77428900 0.00540600 0.40911300 1.0 B B23 1 0.27428900 0.99459400 0.09088700 1.0 B B24 1 0.87722600 0.95161800 0.70398400 1.0 B B25 1 0.37722600 0.04838200 0.79601600 1.0 B B26 1 0.12277400 0.04838200 0.29601600 1.0 B B27 1 0.62277400 0.95161800 0.20398400 1.0 B B28 1 0.86576500 0.92304700 0.50472700 1.0 B B29 1 0.36576500 0.07695300 0.99527300 1.0 B B30 1 0.13423500 0.07695300 0.49527300 1.0 B B31 1 0.63423500 0.92304700 0.00472700 1.0 B B32 1 0.55218000 0.71158800 0.80010400 1.0 B B33 1 0.05218000 0.28841200 0.69989600 1.0 B B34 1 0.44782000 0.28841200 0.19989600 1.0 B B35 1 0.94782000 0.71158800 0.30010400 1.0 B B36 1 0.88519200 0.69091300 0.85219800 1.0 B B37 1 0.38519200 0.30908700 0.64780200 1.0 B B38 1 0.11480800 0.30908700 0.14780200 1.0 B B39 1 0.61480800 0.69091300 0.35219800 1.0 B B40 1 0.05985200 0.65950800 0.63906900 1.0 B B41 1 0.55985200 0.34049200 0.86093100 1.0 B B42 1 0.94014800 0.34049200 0.36093100 1.0 B B43 1 0.44014800 0.65950800 0.13906900 1.0 B B44 1 0.70267400 0.65795000 0.64900800 1.0 B B45 1 0.20267400 0.34205000 0.85099200 1.0 B B46 1 0.29732600 0.34205000 0.35099200 1.0 B B47 1 0.79732600 0.65795000 0.14900800 1.0 B B48 1 0.87086700 0.57207000 0.50199000 1.0 B B49 1 0.37086700 0.42793000 0.99801000 1.0 B B50 1 0.12913300 0.42793000 0.49801000 1.0 B B51 1 0.62913300 0.57207000 0.00199000 1.0 B B52 1 0.62215900 0.39644500 0.50482200 1.0 B B53 1 0.12215900 0.60355500 0.99517800 1.0 B B54 1 0.37784100 0.60355500 0.49517800 1.0 B B55 1 0.87784100 0.39644500 0.00482200 1.0 B B56 1 0.88131200 0.31387300 0.90656200 1.0 B B57 1 0.38131200 0.68612700 0.59343800 1.0 B B58 1 0.11868800 0.68612700 0.09343800 1.0 B B59 1 0.61868800 0.31387300 0.40656200 1.0 B B60 1 0.70265100 0.28536200 0.70814000 1.0 B B61 1 0.20265100 0.71463800 0.79186000 1.0 B B62 1 0.29734900 0.71463800 0.29186000 1.0 B B63 1 0.79734900 0.28536200 0.20814000 1.0 Rh Rh64 1 0.01285900 0.95759000 0.58895000 1.0 Rh Rh65 1 0.51285900 0.04241000 0.91105000 1.0 Rh Rh66 1 0.98714100 0.04241000 0.41105000 1.0 Rh Rh67 1 0.48714100 0.95759000 0.08895000 1.0 Rh Rh68 1 0.74559600 0.95612400 0.60415400 1.0 Rh Rh69 1 0.24559600 0.04387600 0.89584600 1.0 Rh Rh70 1 0.25440400 0.04387600 0.39584600 1.0 Rh Rh71 1 0.75440400 0.95612400 0.10415400 1.0 Rh Rh72 1 0.87992900 0.93196600 0.83989300 1.0 Rh Rh73 1 0.37992900 0.06803400 0.66010700 1.0 Rh Rh74 1 0.12007100 0.06803400 0.16010700 1.0 Rh Rh75 1 0.62007100 0.93196600 0.33989300 1.0 Rh Rh76 1 0.10906900 0.91337400 0.03474300 1.0 Rh Rh77 1 0.60906900 0.08662600 0.46525700 1.0 Rh Rh78 1 0.89093100 0.08662600 0.96525700 1.0 Rh Rh79 1 0.39093100 0.91337400 0.53474300 1.0 Rh Rh80 1 0.10415500 0.78395900 0.89384900 1.0 Rh Rh81 1 0.60415500 0.21604100 0.60615100 1.0 Rh Rh82 1 0.89584500 0.21604100 0.10615100 1.0 Rh Rh83 1 0.39584500 0.78395900 0.39384900 1.0 Rh Rh84 1 0.64706700 0.78128500 0.91117300 1.0 Rh Rh85 1 0.14706700 0.21871500 0.58882700 1.0 Rh Rh86 1 0.35293300 0.21871500 0.08882700 1.0 Rh Rh87 1 0.85293300 0.78128500 0.41117300 1.0 Rh Rh88 1 0.22766600 0.76809900 0.65599400 1.0 Rh Rh89 1 0.72766600 0.23190100 0.84400600 1.0 Rh Rh90 1 0.77233400 0.23190100 0.34400600 1.0 Rh Rh91 1 0.27233400 0.76809900 0.15599400 1.0 Rh Rh92 1 0.53109800 0.76372200 0.66253300 1.0 Rh Rh93 1 0.03109800 0.23627800 0.83746700 1.0 Rh Rh94 1 0.46890200 0.23627800 0.33746700 1.0 Rh Rh95 1 0.96890200 0.76372200 0.16253300 1.0 Rh Rh96 1 0.00086500 0.75662200 0.74233500 1.0 Rh Rh97 1 0.50086500 0.24337800 0.75766500 1.0 Rh Rh98 1 0.99913500 0.24337800 0.25766500 1.0 Rh Rh99 1 0.49913500 0.75662200 0.24233500 1.0 Rh Rh100 1 0.74988200 0.74710500 0.75671800 1.0 Rh Rh101 1 0.24988200 0.25289500 0.74328200 1.0 Rh Rh102 1 0.25011800 0.25289500 0.24328200 1.0 Rh Rh103 1 0.75011800 0.74710500 0.25671800 1.0 Rh Rh104 1 0.87701200 0.71575700 0.59008400 1.0 Rh Rh105 1 0.37701200 0.28424300 0.90991600 1.0 Rh Rh106 1 0.12298800 0.28424300 0.40991600 1.0 Rh Rh107 1 0.62298800 0.71575700 0.09008400 1.0 Rh Rh108 1 0.50802700 0.53406400 0.90627400 1.0 Rh Rh109 1 0.00802700 0.46593600 0.59372600 1.0 Rh Rh110 1 0.49197300 0.46593600 0.09372600 1.0 Rh Rh111 1 0.99197300 0.53406400 0.40627400 1.0 Rh Rh112 1 0.75433400 0.51054900 0.90944500 1.0 Rh Rh113 1 0.25433400 0.48945100 0.59055500 1.0 Rh Rh114 1 0.24566600 0.48945100 0.09055500 1.0 Rh Rh115 1 0.74566600 0.51054900 0.40944500 1.0 Rh Rh116 1 0.62736500 0.49601100 0.75087800 1.0 Rh Rh117 1 0.12736500 0.50398900 0.74912200 1.0 Rh Rh118 1 0.37263500 0.50398900 0.24912200 1.0 Rh Rh119 1 0.87263500 0.49601100 0.25087800 1.0 Rh Rh120 1 0.50054100 0.49084500 0.59239100 1.0 Rh Rh121 1 0.00054100 0.50915500 0.90760900 1.0 Rh Rh122 1 0.49945900 0.50915500 0.40760900 1.0 Rh Rh123 1 0.99945900 0.49084500 0.09239100 1.0 Rh Rh124 1 0.74470700 0.46330000 0.59650500 1.0 Rh Rh125 1 0.24470700 0.53670000 0.90349500 1.0 Rh Rh126 1 0.25529300 0.53670000 0.40349500 1.0 Rh Rh127 1 0.75529300 0.46330000 0.09650500 1.0 Rh Rh128 1 0.87793500 0.18490300 0.68381600 1.0 Rh Rh129 1 0.37793500 0.81509700 0.81618400 1.0 Rh Rh130 1 0.12206500 0.81509700 0.31618400 1.0 Rh Rh131 1 0.62206500 0.18490300 0.18381600 1.0