# generated using pymatgen data_Pr9Bi5NO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43012791 _cell_length_b 10.43012791 _cell_length_c 9.46345162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr9Bi5NO4 _chemical_formula_sum 'Pr18 Bi10 N2 O8' _cell_volume 1029.50588912 _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 Pr Pr0 1 0.72411990 0.91943460 0.00181912 1.0 Pr Pr1 1 0.58056540 0.22411990 0.00181912 1.0 Pr Pr2 1 0.00000000 0.50000000 0.31570002 1.0 Pr Pr3 1 0.77588010 0.58056540 0.99818088 1.0 Pr Pr4 1 0.22411990 0.41943460 0.99818088 1.0 Pr Pr5 1 0.20512790 0.89548077 0.33743116 1.0 Pr Pr6 1 0.27588010 0.08056540 0.00181912 1.0 Pr Pr7 1 0.89548077 0.79487210 0.66256884 1.0 Pr Pr8 1 0.91943460 0.27588010 0.99818088 1.0 Pr Pr9 1 0.29487210 0.60451923 0.66256884 1.0 Pr Pr10 1 0.41943460 0.77588010 0.00181912 1.0 Pr Pr11 1 0.10451923 0.20512790 0.66256884 1.0 Pr Pr12 1 0.79487210 0.10451923 0.33743116 1.0 Pr Pr13 1 0.50000000 0.00000000 0.68429998 1.0 Pr Pr14 1 0.08056540 0.72411990 0.99818088 1.0 Pr Pr15 1 0.39548077 0.29487210 0.33743116 1.0 Pr Pr16 1 0.70512790 0.39548077 0.66256884 1.0 Pr Pr17 1 0.60451923 0.70512790 0.33743116 1.0 Bi Bi18 1 0.50000000 0.00000000 0.32041921 1.0 Bi Bi19 1 0.19423403 0.90336841 0.69693451 1.0 Bi Bi20 1 0.40336841 0.30576597 0.69693451 1.0 Bi Bi21 1 0.00000000 0.50000000 0.67958079 1.0 Bi Bi22 1 0.69423403 0.40336841 0.30306549 1.0 Bi Bi23 1 0.09663159 0.19423403 0.30306549 1.0 Bi Bi24 1 0.59663159 0.69423403 0.69693451 1.0 Bi Bi25 1 0.30576597 0.59663159 0.30306549 1.0 Bi Bi26 1 0.80576597 0.09663159 0.69693451 1.0 Bi Bi27 1 0.90336841 0.80576597 0.30306549 1.0 N N28 1 0.50000000 0.00000000 0.93392708 1.0 N N29 1 0.00000000 0.50000000 0.06607292 1.0 O O30 1 0.72655287 0.37822014 0.90999224 1.0 O O31 1 0.62177986 0.72655287 0.09000776 1.0 O O32 1 0.37822014 0.27344713 0.09000776 1.0 O O33 1 0.12177986 0.22655287 0.90999224 1.0 O O34 1 0.27344713 0.62177986 0.90999224 1.0 O O35 1 0.22655287 0.87822014 0.09000776 1.0 O O36 1 0.87822014 0.77344713 0.90999224 1.0 O O37 1 0.77344713 0.12177986 0.09000776 1.0