# generated using pymatgen data_Li5Pa4Zn29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66343195 _cell_length_b 6.66343207 _cell_length_c 13.44477246 _cell_angle_alpha 82.40682253 _cell_angle_beta 82.40682532 _cell_angle_gamma 82.94497255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Pa4Zn29 _chemical_formula_sum 'Li5 Pa4 Zn29' _cell_volume 583.16024553 _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 Li Li0 1 0.00000000 0.00000000 0.75000000 1.0 Li Li1 1 0.00014207 0.50040757 0.99936351 1.0 Li Li2 1 0.99985793 0.49959243 0.50063649 1.0 Li Li3 1 0.49959243 0.99985793 0.50063649 1.0 Li Li4 1 0.50040757 0.00014207 0.99936351 1.0 Pa Pa5 1 0.65889646 0.65889646 0.32787593 1.0 Pa Pa6 1 0.65562517 0.65562517 0.82703270 1.0 Pa Pa7 1 0.34110354 0.34110354 0.17212407 1.0 Pa Pa8 1 0.34437483 0.34437483 0.67296730 1.0 Zn Zn9 1 0.29421163 0.70653204 0.99945356 1.0 Zn Zn10 1 0.29346796 0.70578837 0.50054644 1.0 Zn Zn11 1 0.70668882 0.00109621 0.14367541 1.0 Zn Zn12 1 0.70935951 0.00083728 0.64618935 1.0 Zn Zn13 1 0.99890379 0.29331118 0.35632459 1.0 Zn Zn14 1 0.99916272 0.29064049 0.85381065 1.0 Zn Zn15 1 0.29331118 0.99890379 0.35632459 1.0 Zn Zn16 1 0.29064049 0.99916272 0.85381065 1.0 Zn Zn17 1 0.00109621 0.70668882 0.14367541 1.0 Zn Zn18 1 0.00083728 0.70935951 0.64618935 1.0 Zn Zn19 1 0.70578837 0.29346796 0.50054644 1.0 Zn Zn20 1 0.70653204 0.29421163 0.99945356 1.0 Zn Zn21 1 0.34764977 0.34764977 0.42769977 1.0 Zn Zn22 1 0.34755359 0.34755359 0.92497030 1.0 Zn Zn23 1 0.35289746 0.84220719 0.17368490 1.0 Zn Zn24 1 0.34888319 0.84754767 0.67412652 1.0 Zn Zn25 1 0.84220719 0.35289746 0.17368490 1.0 Zn Zn26 1 0.84754767 0.34888319 0.67412652 1.0 Zn Zn27 1 0.65235023 0.65235023 0.07230023 1.0 Zn Zn28 1 0.65244641 0.65244641 0.57502970 1.0 Zn Zn29 1 0.64710254 0.15779281 0.32631510 1.0 Zn Zn30 1 0.65111681 0.15245233 0.82587348 1.0 Zn Zn31 1 0.15779281 0.64710254 0.32631510 1.0 Zn Zn32 1 0.15245233 0.65111681 0.82587348 1.0 Zn Zn33 1 0.89636174 0.89636174 0.45011216 1.0 Zn Zn34 1 0.89608165 0.89608165 0.94670302 1.0 Zn Zn35 1 0.10363826 0.10363826 0.04988784 1.0 Zn Zn36 1 0.10391835 0.10391835 0.55329698 1.0 Zn Zn37 1 0.00000000 0.00000000 0.25000000 1.0