# generated using pymatgen data_Zr6Zn23Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68646390 _cell_length_b 8.68645953 _cell_length_c 8.68645815 _cell_angle_alpha 59.99949106 _cell_angle_beta 59.99954532 _cell_angle_gamma 59.99935936 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn23Si _chemical_formula_sum 'Zr6 Zn23 Si1' _cell_volume 463.45576391 _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 Zr Zr0 1 0.71172565 0.28827521 0.28827183 1.0 Zr Zr1 1 0.28827423 0.71172600 0.71172345 1.0 Zr Zr2 1 0.28827646 0.71172418 0.28827263 1.0 Zr Zr3 1 0.71172734 0.28827354 0.71172196 1.0 Zr Zr4 1 0.28827476 0.28827480 0.71172261 1.0 Zr Zr5 1 0.71172608 0.71172637 0.28827126 1.0 Zn Zn6 1 0.12398900 0.12398820 0.12400320 1.0 Zn Zn7 1 0.87599905 0.87600490 0.87601101 1.0 Zn Zn8 1 0.12399444 0.12399532 0.62800921 1.0 Zn Zn9 1 0.12399513 0.62800689 0.12399703 1.0 Zn Zn10 1 0.87600809 0.87600884 0.37199206 1.0 Zn Zn11 1 0.87600532 0.37199171 0.87601153 1.0 Zn Zn12 1 0.62800690 0.12399391 0.12399802 1.0 Zn Zn13 1 0.37199017 0.87600709 0.87601134 1.0 Zn Zn14 1 0.49999835 -0.00000351 -0.00000004 1.0 Zn Zn15 1 0.00000456 0.50000023 0.49999675 1.0 Zn Zn16 1 -0.00000239 0.49999869 0.99999937 1.0 Zn Zn17 1 0.50000001 0.00000379 0.49999715 1.0 Zn Zn18 1 0.00000047 -0.00000083 0.49999603 1.0 Zn Zn19 1 0.49999936 0.50000027 0.00000674 1.0 Zn Zn20 1 0.33437950 0.33437947 0.33437897 1.0 Zn Zn21 1 0.66562352 0.66562416 0.66562312 1.0 Zn Zn22 1 0.33437171 0.33437250 0.99687705 1.0 Zn Zn23 1 0.33437158 0.99687881 0.33437043 1.0 Zn Zn24 1 0.66562575 0.66562587 0.00312435 1.0 Zn Zn25 1 0.66562573 0.00312477 0.66562445 1.0 Zn Zn26 1 0.99688088 0.33437116 0.33436925 1.0 Zn Zn27 1 0.00312689 0.66562520 0.66562393 1.0 Zn Zn28 1 0.00000044 -0.00000008 0.00000570 1.0 Si Si29 1 0.50000100 0.50000253 0.49999064 1.0