# generated using pymatgen data_Th4Zr6Sn7Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90352498 _cell_length_b 7.88426375 _cell_length_c 14.58589986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.93580396 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Zr6Sn7Ge _chemical_formula_sum 'Th8 Zr12 Sn14 Ge2' _cell_volume 908.89754363 _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 Th Th0 1 0.99157481 0.34396986 0.53168487 1.0 Th Th1 1 0.00842519 0.65603014 0.03168487 1.0 Th Th2 1 0.84278198 0.50274186 0.27623021 1.0 Th Th3 1 0.15721802 0.49725814 0.77623021 1.0 Th Th4 1 0.66026338 0.00317328 0.97201926 1.0 Th Th5 1 0.33973662 0.99682672 0.47201926 1.0 Th Th6 1 0.50748636 0.82895135 0.72094101 1.0 Th Th7 1 0.49251364 0.17104865 0.22094101 1.0 Zr Zr8 1 0.83352625 0.17263938 0.74892560 1.0 Zr Zr9 1 0.16647375 0.82736062 0.24892560 1.0 Zr Zr10 1 0.67112497 0.66761874 0.50346285 1.0 Zr Zr11 1 0.32887503 0.33238126 0.00346285 1.0 Zr Zr12 1 0.51796390 0.34290784 0.63000890 1.0 Zr Zr13 1 0.48203610 0.65709216 0.13000890 1.0 Zr Zr14 1 0.82955699 0.00029104 0.37154470 1.0 Zr Zr15 1 0.17044301 0.99970896 0.87154470 1.0 Zr Zr16 1 0.67039941 0.49325350 0.86749625 1.0 Zr Zr17 1 0.32960059 0.50674650 0.36749625 1.0 Zr Zr18 1 0.99342640 0.82291453 0.63029316 1.0 Zr Zr19 1 0.00657360 0.17708547 0.13029316 1.0 Sn Sn20 1 0.62054163 0.30800611 0.42777270 1.0 Sn Sn21 1 0.37945837 0.69199389 0.92777270 1.0 Sn Sn22 1 0.80028140 0.87869667 0.17482900 1.0 Sn Sn23 1 0.19971860 0.12130333 0.67482900 1.0 Sn Sn24 1 0.69553848 0.37945034 0.06950040 1.0 Sn Sn25 1 0.30446152 0.62054966 0.56950040 1.0 Sn Sn26 1 0.87659113 0.80181371 0.82567383 1.0 Sn Sn27 1 0.12340887 0.19818629 0.32567383 1.0 Sn Sn28 1 0.71271772 0.03247514 0.56760199 1.0 Sn Sn29 1 0.28728228 0.96752486 0.06760199 1.0 Sn Sn30 1 0.53323195 0.79337113 0.31834915 1.0 Sn Sn31 1 0.46676805 0.20662887 0.81834915 1.0 Sn Sn32 1 0.96899291 0.28609653 0.93268160 1.0 Sn Sn33 1 0.03100709 0.71390347 0.43268160 1.0 Ge Ge34 1 0.79466866 0.53001273 0.68098453 1.0 Ge Ge35 1 0.20533134 0.46998727 0.18098453 1.0