# generated using pymatgen data_Al23V4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61737637 _cell_length_b 7.61737679 _cell_length_c 16.90832934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000132 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al23V4 _chemical_formula_sum 'Al46 V8' _cell_volume 849.65413792 _cell_formula_units_Z 2 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 0.33333400 0.66666700 0.61530293 1.0 Al Al1 1 0.66666600 0.33333300 0.11530293 1.0 Al Al2 1 0.66666600 0.33333300 0.38469707 1.0 Al Al3 1 0.33333400 0.66666700 0.88469707 1.0 Al Al4 1 0.12581906 0.25163912 0.25000000 1.0 Al Al5 1 0.87418094 0.12581806 0.75000000 1.0 Al Al6 1 0.25163912 0.12581906 0.75000000 1.0 Al Al7 1 0.74836088 0.87418094 0.25000000 1.0 Al Al8 1 0.12581906 0.87418194 0.25000000 1.0 Al Al9 1 0.87418094 0.74836088 0.75000000 1.0 Al Al10 1 0.21025104 0.42050208 0.02982262 1.0 Al Al11 1 0.78974896 0.21025104 0.52982262 1.0 Al Al12 1 0.42050208 0.21025104 0.52982262 1.0 Al Al13 1 0.57949792 0.78974896 0.02982262 1.0 Al Al14 1 0.21025104 0.78974896 0.02982262 1.0 Al Al15 1 0.78974896 0.57949792 0.97017738 1.0 Al Al16 1 0.78974896 0.21025104 0.97017738 1.0 Al Al17 1 0.78974896 0.57949792 0.52982262 1.0 Al Al18 1 0.42050208 0.21025104 0.97017738 1.0 Al Al19 1 0.57949792 0.78974896 0.47017738 1.0 Al Al20 1 0.21025104 0.42050208 0.47017738 1.0 Al Al21 1 0.21025104 0.78974896 0.47017738 1.0 Al Al22 1 0.12481931 0.24963763 0.61660262 1.0 Al Al23 1 0.87518069 0.12481831 0.11660262 1.0 Al Al24 1 0.24963763 0.12481931 0.11660262 1.0 Al Al25 1 0.75036237 0.87518069 0.61660262 1.0 Al Al26 1 0.12481931 0.87518169 0.61660262 1.0 Al Al27 1 0.87518069 0.75036237 0.38339738 1.0 Al Al28 1 0.87518069 0.12481831 0.38339738 1.0 Al Al29 1 0.87518069 0.75036237 0.11660262 1.0 Al Al30 1 0.24963763 0.12481931 0.38339738 1.0 Al Al31 1 0.75036237 0.87518069 0.88339738 1.0 Al Al32 1 0.12481931 0.24963763 0.88339738 1.0 Al Al33 1 0.12481931 0.87518169 0.88339738 1.0 Al Al34 1 0.45895250 0.91790701 0.16623425 1.0 Al Al35 1 0.54104750 0.45895350 0.66623425 1.0 Al Al36 1 0.91790701 0.45895350 0.66623425 1.0 Al Al37 1 0.08209299 0.54104650 0.16623425 1.0 Al Al38 1 0.45895250 0.54104650 0.16623425 1.0 Al Al39 1 0.54104750 0.08209299 0.83376575 1.0 Al Al40 1 0.54104750 0.45895350 0.83376575 1.0 Al Al41 1 0.54104750 0.08209299 0.66623425 1.0 Al Al42 1 0.91790701 0.45895350 0.83376575 1.0 Al Al43 1 0.08209299 0.54104650 0.33376575 1.0 Al Al44 1 0.45895250 0.91790701 0.33376575 1.0 Al Al45 1 0.45895250 0.54104650 0.33376575 1.0 V V46 1 0.00000000 -0.00000000 0.00000000 1.0 V V47 1 0.00000000 -0.00000000 0.50000000 1.0 V V48 1 0.78054206 0.56108612 0.25000000 1.0 V V49 1 0.21945794 0.78054306 0.75000000 1.0 V V50 1 0.56108712 0.78054306 0.75000000 1.0 V V51 1 0.43891288 0.21945694 0.25000000 1.0 V V52 1 0.78054206 0.21945694 0.25000000 1.0 V V53 1 0.21945794 0.43891388 0.75000000 1.0