# generated using pymatgen data_Ca4Pr9Nd7Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10821520 _cell_length_b 8.53197437 _cell_length_c 16.13012716 _cell_angle_alpha 90.03391386 _cell_angle_beta 90.01115334 _cell_angle_gamma 89.99925529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Pr9Nd7Sn16 _chemical_formula_sum 'Ca4 Pr9 Nd7 Sn16' _cell_volume 1115.86720922 _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 Ca Ca0 1 0.16474301 0.49269794 0.74982317 1.0 Ca Ca1 1 0.66488221 0.00678784 0.74976538 1.0 Ca Ca2 1 0.83517823 0.50692143 0.25021118 1.0 Ca Ca3 1 0.33505673 0.99320333 0.25010630 1.0 Pr Pr4 1 0.83395693 0.67295691 0.87636704 1.0 Pr Pr5 1 0.49050971 0.31740001 0.90470977 1.0 Pr Pr6 1 0.99058324 0.18232544 0.59497417 1.0 Pr Pr7 1 0.50944334 0.68285701 0.40475403 1.0 Pr Pr8 1 0.00974871 0.81722440 0.09553686 1.0 Pr Pr9 1 0.50940830 0.68222729 0.09541911 1.0 Pr Pr10 1 0.00927605 0.81775983 0.40474369 1.0 Pr Pr11 1 0.49038328 0.31724752 0.59491776 1.0 Pr Pr12 1 0.99056420 0.18285850 0.90474546 1.0 Nd Nd13 1 0.33365011 0.82708613 0.87592311 1.0 Nd Nd14 1 0.83360036 0.67295451 0.62375673 1.0 Nd Nd15 1 0.66614880 0.17291476 0.37615922 1.0 Nd Nd16 1 0.16612135 0.32707352 0.12412337 1.0 Nd Nd17 1 0.66625574 0.17303451 0.12429604 1.0 Nd Nd18 1 0.16635008 0.32704966 0.37611721 1.0 Nd Nd19 1 0.33398127 0.82700140 0.62365541 1.0 Sn Sn20 1 0.32513006 0.03621851 0.03819006 1.0 Sn Sn21 1 0.82502722 0.46395293 0.46176498 1.0 Sn Sn22 1 0.67538540 0.96371496 0.53801808 1.0 Sn Sn23 1 0.17696060 0.53604517 0.96225095 1.0 Sn Sn24 1 0.67368739 0.96493304 0.96211078 1.0 Sn Sn25 1 0.17455227 0.53613206 0.53811785 1.0 Sn Sn26 1 0.32453155 0.03633755 0.46188492 1.0 Sn Sn27 1 0.82517551 0.46327535 0.03884307 1.0 Sn Sn28 1 0.53230500 0.60547178 0.74939243 1.0 Sn Sn29 1 0.03333622 0.89481554 0.74956314 1.0 Sn Sn30 1 0.46713252 0.39408223 0.25013581 1.0 Sn Sn31 1 0.96709110 0.10597902 0.25004255 1.0 Sn Sn32 1 0.29070716 0.13739201 0.74979599 1.0 Sn Sn33 1 0.79006551 0.36198120 0.74959125 1.0 Sn Sn34 1 0.70946605 0.86263636 0.25006177 1.0 Sn Sn35 1 0.20960378 0.63745133 0.25012734 1.0