# generated using pymatgen data_AlV2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38479029 _cell_length_b 5.83962646 _cell_length_c 5.83962646 _cell_angle_alpha 59.99999475 _cell_angle_beta 90.00000171 _cell_angle_gamma 106.32959558 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2O4 _chemical_formula_sum 'Al4 V8 O16' _cell_volume 290.07624885 _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 Al Al0 1 0.55177500 0.36785000 0.81607500 1.0 Al Al1 1 0.44822500 0.63215000 0.18392500 1.0 Al Al2 1 0.92203700 0.61469100 0.69265400 1.0 Al Al3 1 0.07796300 0.38530900 0.30734600 1.0 V V4 1 0.00000000 0.00000000 0.00000000 1.0 V V5 1 0.50000000 0.00000000 0.50000000 1.0 V V6 1 0.25277100 0.98567600 0.28141900 1.0 V V7 1 0.74722900 0.01432400 0.71858100 1.0 V V8 1 0.25277100 0.98567600 0.73290500 1.0 V V9 1 0.74722900 0.01432400 0.26709500 1.0 V V10 1 0.25277100 0.53419000 0.73290500 1.0 V V11 1 0.74722900 0.46581000 0.26709500 1.0 O O12 1 0.36654800 0.24436500 0.87781700 1.0 O O13 1 0.63345200 0.75563500 0.12218300 1.0 O O14 1 0.10722500 0.73815000 0.63092500 1.0 O O15 1 0.89277500 0.26185000 0.36907500 1.0 O O16 1 0.62164000 0.25240900 0.11682100 1.0 O O17 1 0.37836000 0.74759100 0.88317900 1.0 O O18 1 0.62164000 0.25240900 0.63076900 1.0 O O19 1 0.37836000 0.74759100 0.36923100 1.0 O O20 1 0.62164000 0.73846100 0.63076900 1.0 O O21 1 0.37836000 0.26153900 0.36923100 1.0 O O22 1 0.86242500 0.74227000 0.37788400 1.0 O O23 1 0.13757500 0.25773000 0.62211600 1.0 O O24 1 0.86242500 0.74227000 0.87984500 1.0 O O25 1 0.13757500 0.25773000 0.12015500 1.0 O O26 1 0.86242500 0.24030900 0.87984500 1.0 O O27 1 0.13757500 0.75969100 0.12015500 1.0