# generated using pymatgen data_Nd3Zn22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78616636 _cell_length_b 8.78575507 _cell_length_c 12.21660246 _cell_angle_alpha 111.06398310 _cell_angle_beta 111.06557396 _cell_angle_gamma 89.96085280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Zn22 _chemical_formula_sum 'Nd6 Zn44' _cell_volume 812.22081132 _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 Nd Nd0 1 0.49633264 0.74642235 0.99256467 1.0 Nd Nd1 1 0.74641259 0.49632245 0.49255505 1.0 Nd Nd2 1 0.50367209 0.25358066 0.00744130 1.0 Nd Nd3 1 0.25358253 0.50367296 0.50743790 1.0 Nd Nd4 1 0.12458661 0.87542507 0.25001126 1.0 Nd Nd5 1 0.87541215 0.12457546 0.74998868 1.0 Zn Zn6 1 0.42127311 0.19601989 0.37763125 1.0 Zn Zn7 1 0.42088890 0.68219273 0.37713503 1.0 Zn Zn8 1 0.19604211 0.42125540 0.87766586 1.0 Zn Zn9 1 0.19616171 0.95588489 0.87746973 1.0 Zn Zn10 1 0.95585178 0.19612869 0.37740085 1.0 Zn Zn11 1 0.95617808 0.68255872 0.37730356 1.0 Zn Zn12 1 0.68221125 0.42090876 0.87719299 1.0 Zn Zn13 1 0.68255952 0.95621452 0.87734878 1.0 Zn Zn14 1 0.57873190 0.80398973 0.62237949 1.0 Zn Zn15 1 0.57912304 0.31780887 0.62287839 1.0 Zn Zn16 1 0.80395596 0.57873761 0.12232284 1.0 Zn Zn17 1 0.80383684 0.04412098 0.12252435 1.0 Zn Zn18 1 0.04414626 0.80387597 0.62260560 1.0 Zn Zn19 1 0.04383363 0.31744130 0.62270328 1.0 Zn Zn20 1 0.31778453 0.57908741 0.12279854 1.0 Zn Zn21 1 0.31743046 0.04377931 0.12264592 1.0 Zn Zn22 1 0.14833651 0.62243574 0.74627021 1.0 Zn Zn23 1 0.62240566 0.14823997 0.24617841 1.0 Zn Zn24 1 0.62264375 0.59770902 0.24587993 1.0 Zn Zn25 1 0.59770925 0.62269754 0.74597433 1.0 Zn Zn26 1 0.85166738 0.37755870 0.25371966 1.0 Zn Zn27 1 0.37759460 0.85175367 0.75382569 1.0 Zn Zn28 1 0.37736174 0.40230362 0.75412792 1.0 Zn Zn29 1 0.40227672 0.37729857 0.25401853 1.0 Zn Zn30 1 0.48626256 0.88361462 0.26689546 1.0 Zn Zn31 1 0.88364706 0.48631345 0.76697967 1.0 Zn Zn32 1 0.88410156 0.77932392 0.76706967 1.0 Zn Zn33 1 0.77930467 0.88409171 0.26698037 1.0 Zn Zn34 1 0.51373345 0.11638973 0.73311486 1.0 Zn Zn35 1 0.11634961 0.51369099 0.23301199 1.0 Zn Zn36 1 0.11588995 0.22066727 0.23292157 1.0 Zn Zn37 1 0.22070507 0.11591293 0.73302874 1.0 Zn Zn38 1 0.83507999 0.73609142 0.97246869 1.0 Zn Zn39 1 0.73605234 0.83503545 0.47241278 1.0 Zn Zn40 1 0.73623889 0.13726729 0.47259739 1.0 Zn Zn41 1 0.13729211 0.73624984 0.97264681 1.0 Zn Zn42 1 0.16492979 0.26390934 0.02752333 1.0 Zn Zn43 1 0.26394950 0.16495924 0.52759668 1.0 Zn Zn44 1 0.26376736 0.86275219 0.52741773 1.0 Zn Zn45 1 0.86268433 0.26373771 0.02733183 1.0 Zn Zn46 1 0.50000245 0.00000073 0.49999531 1.0 Zn Zn47 1 0.00000186 0.49999302 0.00000375 1.0 Zn Zn48 1 0.00000225 0.00000236 0.00000370 1.0 Zn Zn49 1 -0.00000111 -0.00000575 0.49999762 1.0