# generated using pymatgen data_Lu4V5B18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35944600 _cell_length_b 8.94153600 _cell_length_c 33.81458130 _cell_angle_alpha 89.99234296 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4V5B18 _chemical_formula_sum 'Lu16 V20 B72' _cell_volume 1015.74292133 _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 Lu Lu0 1 0.00000000 0.67661300 0.86218700 1.0 Lu Lu1 1 0.00000000 0.67726300 0.52826100 1.0 Lu Lu2 1 0.00000000 0.67761600 0.19496300 1.0 Lu Lu3 1 0.00000000 0.32344300 0.80453900 1.0 Lu Lu4 1 0.00000000 0.32313200 0.47098500 1.0 Lu Lu5 1 0.00000000 0.32324900 0.13765800 1.0 Lu Lu6 1 0.00000000 0.18117900 0.97250700 1.0 Lu Lu7 1 0.00000000 0.18152000 0.63827000 1.0 Lu Lu8 1 0.00000000 0.18101800 0.30547100 1.0 Lu Lu9 1 0.00000000 0.81820700 0.69453400 1.0 Lu Lu10 1 0.00000000 0.81944800 0.36199400 1.0 Lu Lu11 1 0.00000000 0.81953900 0.02892500 1.0 Lu Lu12 1 0.00000000 0.05558400 0.87723900 1.0 Lu Lu13 1 0.00000000 0.05403200 0.54207900 1.0 Lu Lu14 1 0.00000000 0.05377100 0.20886800 1.0 Lu Lu15 1 0.00000000 0.94415600 0.78958100 1.0 V V16 1 0.00000000 0.36469200 0.89620300 1.0 V V17 1 0.00000000 0.36337000 0.56196700 1.0 V V18 1 0.00000000 0.36325300 0.22882700 1.0 V V19 1 0.00000000 0.63512900 0.77054700 1.0 V V20 1 0.00000000 0.64347800 0.43779100 1.0 V V21 1 0.00000000 0.64330700 0.10451000 1.0 V V22 1 0.00000000 0.84924100 0.94132900 1.0 V V23 1 0.00000000 0.84915500 0.60671100 1.0 V V24 1 0.00000000 0.84922500 0.27370900 1.0 V V25 1 0.00000000 0.15080800 0.72556100 1.0 V V26 1 0.00000000 0.14501100 0.39433200 1.0 V V27 1 0.00000000 0.14509300 0.06107900 1.0 V V28 1 0.00000000 0.94439100 0.45584600 1.0 V V29 1 0.00000000 0.94436500 0.12246400 1.0 V V30 1 0.00000000 0.55494800 0.95744900 1.0 V V31 1 0.00000000 0.55499700 0.62403100 1.0 V V32 1 0.00000000 0.55496200 0.29061400 1.0 V V33 1 0.00000000 0.44491700 0.70919200 1.0 V V34 1 0.00000000 0.44531900 0.37651700 1.0 V V35 1 0.00000000 0.44559300 0.04321800 1.0 B B36 1 0.50000000 0.40616200 0.99214700 1.0 B B37 1 0.50000000 0.40678700 0.65808300 1.0 B B38 1 0.50000000 0.40597000 0.32528200 1.0 B B39 1 0.50000000 0.59317600 0.67494400 1.0 B B40 1 0.50000000 0.59326200 0.34196500 1.0 B B41 1 0.50000000 0.59310900 0.00882300 1.0 B B42 1 0.50000000 0.89558200 0.84256100 1.0 B B43 1 0.50000000 0.90009100 0.50637000 1.0 B B44 1 0.50000000 0.90024400 0.17308200 1.0 B B45 1 0.50000000 0.10445600 0.82416200 1.0 B B46 1 0.50000000 0.09487600 0.48939900 1.0 B B47 1 0.50000000 0.09497100 0.15608000 1.0 B B48 1 0.50000000 0.20663200 0.91366300 1.0 B B49 1 0.50000000 0.20588600 0.57983700 1.0 B B50 1 0.50000000 0.20573400 0.24656400 1.0 B B51 1 0.50000000 0.79312800 0.75310900 1.0 B B52 1 0.50000000 0.79886300 0.42060300 1.0 B B53 1 0.50000000 0.79890900 0.08730200 1.0 B B54 1 0.50000000 0.69897700 0.92230700 1.0 B B55 1 0.50000000 0.69867300 0.58848600 1.0 B B56 1 0.50000000 0.69888200 0.25527300 1.0 B B57 1 0.50000000 0.30101000 0.74441700 1.0 B B58 1 0.50000000 0.29939800 0.41199500 1.0 B B59 1 0.50000000 0.29935800 0.07872200 1.0 B B60 1 0.50000000 0.44839300 0.85584400 1.0 B B61 1 0.50000000 0.44962900 0.52200500 1.0 B B62 1 0.50000000 0.44951700 0.18874800 1.0 B B63 1 0.50000000 0.55145000 0.81091100 1.0 B B64 1 0.50000000 0.55565400 0.47749900 1.0 B B65 1 0.50000000 0.55560100 0.14422800 1.0 B B66 1 0.50000000 0.94429500 0.97907000 1.0 B B67 1 0.50000000 0.94486000 0.64486900 1.0 B B68 1 0.50000000 0.94440100 0.31190700 1.0 B B69 1 0.50000000 0.05511900 0.68787600 1.0 B B70 1 0.50000000 0.05393800 0.35549300 1.0 B B71 1 0.50000000 0.05398600 0.02233000 1.0 B B72 1 0.50000000 0.01702000 0.93048100 1.0 B B73 1 0.50000000 0.01704000 0.59641500 1.0 B B74 1 0.50000000 0.01720800 0.26324400 1.0 B B75 1 0.50000000 0.98312100 0.73631300 1.0 B B76 1 0.50000000 0.98003100 0.40459400 1.0 B B77 1 0.50000000 0.97999300 0.07135900 1.0 B B78 1 0.50000000 0.52250400 0.90553900 1.0 B B79 1 0.50000000 0.52188000 0.57181900 1.0 B B80 1 0.50000000 0.52158600 0.23864000 1.0 B B81 1 0.50000000 0.47737400 0.76127300 1.0 B B82 1 0.50000000 0.47943500 0.42816400 1.0 B B83 1 0.50000000 0.47938500 0.09487500 1.0 B B84 1 0.50000000 0.37548300 0.94113200 1.0 B B85 1 0.50000000 0.37473000 0.60722400 1.0 B B86 1 0.50000000 0.37485800 0.27413700 1.0 B B87 1 0.50000000 0.62445400 0.72574100 1.0 B B88 1 0.50000000 0.62658000 0.39280700 1.0 B B89 1 0.50000000 0.62658000 0.05953000 1.0 B B90 1 0.50000000 0.86464000 0.89519900 1.0 B B91 1 0.50000000 0.86525700 0.56101000 1.0 B B92 1 0.50000000 0.86531200 0.22783000 1.0 B B93 1 0.50000000 0.13542400 0.77160200 1.0 B B94 1 0.50000000 0.12761100 0.43938500 1.0 B B95 1 0.50000000 0.12772800 0.10612700 1.0 B B96 1 0.50000000 0.25154400 0.86080800 1.0 B B97 1 0.50000000 0.25049100 0.52689100 1.0 B B98 1 0.50000000 0.25054300 0.19359800 1.0 B B99 1 0.50000000 0.74833600 0.80595400 1.0 B B100 1 0.50000000 0.75782600 0.47208800 1.0 B B101 1 0.50000000 0.75780200 0.13880800 1.0 B B102 1 0.50000000 0.73788900 0.97415200 1.0 B B103 1 0.50000000 0.73863900 0.64027600 1.0 B B104 1 0.50000000 0.73814300 0.30713900 1.0 B B105 1 0.50000000 0.26171600 0.69265400 1.0 B B106 1 0.50000000 0.25991000 0.36024800 1.0 B B107 1 0.50000000 0.25992800 0.02703000 1.0