# generated using pymatgen data_Pr4Ti5Fe3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85155976 _cell_length_b 7.68259256 _cell_length_c 8.74415096 _cell_angle_alpha 89.87574341 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4Ti5Fe3O20 _chemical_formula_sum 'Pr4 Ti5 Fe3 O20' _cell_volume 393.09368880 _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 Pr Pr0 1 0.99789006 0.36216064 0.67468066 1.0 Pr Pr1 1 0.99789006 0.63783936 0.32531934 1.0 Pr Pr2 1 0.99961980 0.85720472 0.83076498 1.0 Pr Pr3 1 0.99961980 0.14279528 0.16923502 1.0 Ti Ti4 1 0.50268757 0.11807724 0.85697894 1.0 Ti Ti5 1 0.50268757 0.88192276 0.14302106 1.0 Ti Ti6 1 0.49826241 0.61836947 0.64321276 1.0 Ti Ti7 1 0.49826241 0.38163053 0.35678724 1.0 Ti Ti8 1 0.23933330 0.00000000 0.50000000 1.0 Fe Fe9 1 0.24808809 0.50000000 0.00000000 1.0 Fe Fe10 1 0.74671748 0.00000000 0.50000000 1.0 Fe Fe11 1 0.75222362 0.50000000 0.00000000 1.0 O O12 1 0.25691087 0.90112307 0.29209873 1.0 O O13 1 0.25691087 0.09887693 0.70790127 1.0 O O14 1 0.74328868 0.39473477 0.21402622 1.0 O O15 1 0.74328868 0.60526523 0.78597378 1.0 O O16 1 0.74492451 0.10081145 0.71282476 1.0 O O17 1 0.74492451 0.89918855 0.28717524 1.0 O O18 1 0.25575205 0.60314594 0.78658083 1.0 O O19 1 0.25575205 0.39685406 0.21341917 1.0 O O20 1 0.50070854 0.33738494 0.91904628 1.0 O O21 1 0.50070854 0.66261506 0.08095372 1.0 O O22 1 0.49390642 0.83827413 0.57511126 1.0 O O23 1 0.49390642 0.16172587 0.42488874 1.0 O O24 1 0.28602483 0.00000000 0.00000000 1.0 O O25 1 0.71399008 0.50000000 0.50000000 1.0 O O26 1 0.71445743 0.00000000 0.00000000 1.0 O O27 1 0.28435136 0.50000000 0.50000000 1.0 O O28 1 0.01329387 0.16549864 0.44699590 1.0 O O29 1 0.01329387 0.83450136 0.55300410 1.0 O O30 1 0.00016313 0.66787660 0.05465569 1.0 O O31 1 0.00016313 0.33212340 0.94534431 1.0