# generated using pymatgen data_Y3Al3V2O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.68069650 _cell_length_b 10.68069650 _cell_length_c 10.68069650 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Al3V2O12 _chemical_formula_sum 'Y12 Al12 V8 O48' _cell_volume 937.94383395 _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 Y Y0 1 0.25000000 0.37500000 0.12500000 1.0 Y Y1 1 0.75000000 0.62500000 0.87500000 1.0 Y Y2 1 0.75000000 0.12500000 0.37500000 1.0 Y Y3 1 0.12500000 0.25000000 0.37500000 1.0 Y Y4 1 0.37500000 0.75000000 0.12500000 1.0 Y Y5 1 0.25000000 0.87500000 0.62500000 1.0 Y Y6 1 0.87500000 0.75000000 0.62500000 1.0 Y Y7 1 0.62500000 0.25000000 0.87500000 1.0 Y Y8 1 0.37500000 0.12500000 0.25000000 1.0 Y Y9 1 0.62500000 0.87500000 0.75000000 1.0 Y Y10 1 0.12500000 0.37500000 0.75000000 1.0 Y Y11 1 0.87500000 0.62500000 0.25000000 1.0 Al Al12 1 0.25000000 0.62500000 0.37500000 1.0 Al Al13 1 0.75000000 0.37500000 0.62500000 1.0 Al Al14 1 0.75000000 0.87500000 0.12500000 1.0 Al Al15 1 0.37500000 0.25000000 0.62500000 1.0 Al Al16 1 0.62500000 0.75000000 0.37500000 1.0 Al Al17 1 0.25000000 0.12500000 0.87500000 1.0 Al Al18 1 0.12500000 0.75000000 0.87500000 1.0 Al Al19 1 0.87500000 0.25000000 0.12500000 1.0 Al Al20 1 0.62500000 0.37500000 0.25000000 1.0 Al Al21 1 0.37500000 0.62500000 0.75000000 1.0 Al Al22 1 0.87500000 0.12500000 0.75000000 1.0 Al Al23 1 0.12500000 0.87500000 0.25000000 1.0 V V24 1 0.00000000 0.00000000 0.00000000 1.0 V V25 1 0.50000000 0.00000000 0.50000000 1.0 V V26 1 0.00000000 0.50000000 0.50000000 1.0 V V27 1 0.50000000 0.00000000 0.00000000 1.0 V V28 1 0.50000000 0.50000000 0.00000000 1.0 V V29 1 0.50000000 0.50000000 0.50000000 1.0 V V30 1 0.00000000 0.00000000 0.50000000 1.0 V V31 1 0.00000000 0.50000000 0.00000000 1.0 O O32 1 0.47626800 0.37709000 0.29069300 1.0 O O33 1 0.52373200 0.62291000 0.70930700 1.0 O O34 1 0.58639700 0.18557500 0.20930700 1.0 O O35 1 0.91360300 0.12291000 0.59917800 1.0 O O36 1 0.29069300 0.47626800 0.37709000 1.0 O O37 1 0.31442500 0.91360300 0.29069300 1.0 O O38 1 0.41360300 0.81442500 0.79069300 1.0 O O39 1 0.08639700 0.87709000 0.40082200 1.0 O O40 1 0.70930700 0.52373200 0.62291000 1.0 O O41 1 0.68557500 0.08639700 0.70930700 1.0 O O42 1 0.02373200 0.31442500 0.90082200 1.0 O O43 1 0.20930700 0.58639700 0.18557500 1.0 O O44 1 0.12291000 0.02373200 0.20930700 1.0 O O45 1 0.97626800 0.68557500 0.09917800 1.0 O O46 1 0.79069300 0.41360300 0.81442500 1.0 O O47 1 0.87709000 0.97626800 0.79069300 1.0 O O48 1 0.59917800 0.91360300 0.12291000 1.0 O O49 1 0.18557500 0.47626800 0.59917800 1.0 O O50 1 0.40082200 0.08639700 0.87709000 1.0 O O51 1 0.81442500 0.52373200 0.40082200 1.0 O O52 1 0.90082200 0.02373200 0.31442500 1.0 O O53 1 0.37709000 0.58639700 0.90082200 1.0 O O54 1 0.09917800 0.97626800 0.68557500 1.0 O O55 1 0.62291000 0.41360300 0.09917800 1.0 O O56 1 0.37709000 0.29069300 0.47626800 1.0 O O57 1 0.58639700 0.90082200 0.37709000 1.0 O O58 1 0.62291000 0.70930700 0.52373200 1.0 O O59 1 0.41360300 0.09917800 0.62291000 1.0 O O60 1 0.12291000 0.59917800 0.91360300 1.0 O O61 1 0.02373200 0.20930700 0.12291000 1.0 O O62 1 0.87709000 0.40082200 0.08639700 1.0 O O63 1 0.97626800 0.79069300 0.87709000 1.0 O O64 1 0.31442500 0.90082200 0.02373200 1.0 O O65 1 0.91360300 0.29069300 0.31442500 1.0 O O66 1 0.68557500 0.09917800 0.97626800 1.0 O O67 1 0.08639700 0.70930700 0.68557500 1.0 O O68 1 0.18557500 0.20930700 0.58639700 1.0 O O69 1 0.47626800 0.59917800 0.18557500 1.0 O O70 1 0.81442500 0.79069300 0.41360300 1.0 O O71 1 0.52373200 0.40082200 0.81442500 1.0 O O72 1 0.29069300 0.31442500 0.91360300 1.0 O O73 1 0.70930700 0.68557500 0.08639700 1.0 O O74 1 0.20930700 0.12291000 0.02373200 1.0 O O75 1 0.79069300 0.87709000 0.97626800 1.0 O O76 1 0.90082200 0.37709000 0.58639700 1.0 O O77 1 0.09917800 0.62291000 0.41360300 1.0 O O78 1 0.59917800 0.18557500 0.47626800 1.0 O O79 1 0.40082200 0.81442500 0.52373200 1.0