# generated using pymatgen data_Nd4Ti5V3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79009221 _cell_length_b 7.64998550 _cell_length_c 8.76488842 _cell_angle_alpha 89.86720717 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Ti5V3O20 _chemical_formula_sum 'Nd4 Ti5 V3 O20' _cell_volume 388.23198902 _cell_formula_units_Z 1 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 Nd Nd0 1 0.99757669 0.36267457 0.67404223 1.0 Nd Nd1 1 0.99757669 0.63732543 0.32595777 1.0 Nd Nd2 1 0.99859675 0.85678622 0.83011597 1.0 Nd Nd3 1 0.99859675 0.14321378 0.16988403 1.0 Ti Ti4 1 0.50220396 0.11683874 0.85696985 1.0 Ti Ti5 1 0.50220396 0.88316126 0.14303015 1.0 Ti Ti6 1 0.49864200 0.61757595 0.64280152 1.0 Ti Ti7 1 0.49864200 0.38242405 0.35719848 1.0 Ti Ti8 1 0.24171818 0.00000000 0.50000000 1.0 V V9 1 0.25152650 0.50000000 0.00000000 1.0 V V10 1 0.74940386 0.00000000 0.50000000 1.0 V V11 1 0.74845482 0.50000000 0.00000000 1.0 O O12 1 0.25473374 0.90011076 0.29115366 1.0 O O13 1 0.25473374 0.09988924 0.70884634 1.0 O O14 1 0.74596611 0.39687733 0.21473697 1.0 O O15 1 0.74596611 0.60312267 0.78526303 1.0 O O16 1 0.74654035 0.10410667 0.71561240 1.0 O O17 1 0.74654035 0.89589333 0.28438760 1.0 O O18 1 0.25350428 0.60223635 0.78594007 1.0 O O19 1 0.25350428 0.39776365 0.21405993 1.0 O O20 1 0.50055290 0.33673626 0.92489393 1.0 O O21 1 0.50055290 0.66326374 0.07510607 1.0 O O22 1 0.49871322 0.83858940 0.57443103 1.0 O O23 1 0.49871322 0.16141060 0.42556897 1.0 O O24 1 0.28052341 0.00000000 0.00000000 1.0 O O25 1 0.71715905 0.50000000 0.50000000 1.0 O O26 1 0.71662875 0.00000000 0.00000000 1.0 O O27 1 0.28122819 0.50000000 0.50000000 1.0 O O28 1 0.00936957 0.16585522 0.44579421 1.0 O O29 1 0.00936957 0.83414478 0.55420579 1.0 O O30 1 0.00027855 0.66421895 0.05421870 1.0 O O31 1 0.00027855 0.33578105 0.94578130 1.0