# generated using pymatgen data_Pr2Nd5Sc13Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82004599 _cell_length_b 7.96587675 _cell_length_c 15.04068069 _cell_angle_alpha 90.04043536 _cell_angle_beta 90.32927592 _cell_angle_gamma 89.69308477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Nd5Sc13Sn16 _chemical_formula_sum 'Pr2 Nd5 Sc13 Sn16' _cell_volume 936.90785318 _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 0.50674610 0.32718104 0.59483018 1.0 Pr Pr1 1 0.00987888 0.17654683 0.90459497 1.0 Nd Nd2 1 0.01138348 0.17587999 0.59920445 1.0 Nd Nd3 1 0.49057147 0.67509810 0.40416186 1.0 Nd Nd4 1 0.99084825 0.82196699 0.09394362 1.0 Nd Nd5 1 0.48731797 0.67294136 0.09449936 1.0 Nd Nd6 1 0.98984401 0.82671834 0.40372822 1.0 Sc Sc7 1 0.34649538 0.83735379 0.87445441 1.0 Sc Sc8 1 0.84340455 0.66212710 0.62655120 1.0 Sc Sc9 1 0.65322036 0.16150319 0.37397504 1.0 Sc Sc10 1 0.14930960 0.34004734 0.12318100 1.0 Sc Sc11 1 0.65022335 0.16420375 0.12484705 1.0 Sc Sc12 1 0.15231406 0.33654699 0.37412305 1.0 Sc Sc13 1 0.34976948 0.83887349 0.62854218 1.0 Sc Sc14 1 0.85104632 0.65981795 0.87624389 1.0 Sc Sc15 1 0.51937101 0.32273481 0.90097045 1.0 Sc Sc16 1 0.18028651 0.50418075 0.75273443 1.0 Sc Sc17 1 0.67947079 0.99442146 0.75152490 1.0 Sc Sc18 1 0.81902957 0.49460671 0.24802691 1.0 Sc Sc19 1 0.31997117 0.00674754 0.24949520 1.0 Sn Sn20 1 0.31916564 0.04728051 0.04208651 1.0 Sn Sn21 1 0.81955233 0.45314727 0.45680322 1.0 Sn Sn22 1 0.68350003 0.95612054 0.54412787 1.0 Sn Sn23 1 0.20045613 0.53650416 0.95391468 1.0 Sn Sn24 1 0.67886687 0.96023349 0.95574719 1.0 Sn Sn25 1 0.17903287 0.54972462 0.54345079 1.0 Sn Sn26 1 0.31613130 0.04379150 0.45746953 1.0 Sn Sn27 1 0.80426081 0.45144362 0.03952491 1.0 Sn Sn28 1 0.54387851 0.62894470 0.75250646 1.0 Sn Sn29 1 0.04245480 0.86604991 0.75069176 1.0 Sn Sn30 1 0.45506591 0.36810565 0.25008529 1.0 Sn Sn31 1 0.95677835 0.13374018 0.24759395 1.0 Sn Sn32 1 0.32416833 0.14738847 0.75538602 1.0 Sn Sn33 1 0.81121896 0.35758044 0.75189794 1.0 Sn Sn34 1 0.68259855 0.85794842 0.24924079 1.0 Sn Sn35 1 0.18236631 0.64249901 0.24983875 1.0