# generated using pymatgen data_Zr6Zn23Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76770359 _cell_length_b 8.76768603 _cell_length_c 8.76768614 _cell_angle_alpha 60.00009682 _cell_angle_beta 60.00011646 _cell_angle_gamma 60.00011740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn23Sn _chemical_formula_sum 'Zr6 Zn23 Sn1' _cell_volume 476.58671374 _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 0.73304330 0.26695670 0.26695670 1.0 Zr Zr1 1 0.26695670 0.73304330 0.73304330 1.0 Zr Zr2 1 0.26695770 0.73304330 0.26695470 1.0 Zr Zr3 1 0.73304230 0.26695670 0.73304530 1.0 Zr Zr4 1 0.26695770 0.26695470 0.73304330 1.0 Zr Zr5 1 0.73304230 0.73304530 0.26695670 1.0 Zn Zn6 1 0.13115333 0.13115333 0.13115333 1.0 Zn Zn7 1 0.86884667 0.86884667 0.86884667 1.0 Zn Zn8 1 0.13115233 0.13115233 0.60654300 1.0 Zn Zn9 1 0.13115233 0.60654300 0.13115233 1.0 Zn Zn10 1 0.86884767 0.86884767 0.39345700 1.0 Zn Zn11 1 0.86884767 0.39345700 0.86884767 1.0 Zn Zn12 1 0.60654200 0.13115233 0.13115233 1.0 Zn Zn13 1 0.39345800 0.86884767 0.86884767 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.34402175 0.34402175 0.34402175 1.0 Zn Zn21 1 0.65597825 0.65597825 0.65597825 1.0 Zn Zn22 1 0.34401975 0.34401975 0.96793875 1.0 Zn Zn23 1 0.34401975 0.96793875 0.34401975 1.0 Zn Zn24 1 0.65598025 0.65598025 0.03206125 1.0 Zn Zn25 1 0.65598025 0.03206125 0.65598025 1.0 Zn Zn26 1 0.96793875 0.34401975 0.34401975 1.0 Zn Zn27 1 0.03206125 0.65598025 0.65598025 1.0 Zn Zn28 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn29 1 0.50000000 0.50000000 0.50000000 1.0