# generated using pymatgen data_Zr10Sn6Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86969020 _cell_length_b 8.59292346 _cell_length_c 8.59294018 _cell_angle_alpha 119.99874339 _cell_angle_beta 90.00012357 _cell_angle_gamma 90.00004273 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10Sn6Se _chemical_formula_sum 'Zr10 Sn6 Se1' _cell_volume 375.34794552 _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 0.49999931 0.33332398 0.66666044 1.0 Zr Zr1 1 0.50000085 0.66666527 0.33332792 1.0 Zr Zr2 1 0.00000002 0.66666475 0.33332529 1.0 Zr Zr3 1 0.99999938 0.33332089 0.66665944 1.0 Zr Zr4 1 0.76426888 0.25722646 0.99998147 1.0 Zr Zr5 1 0.76426361 0.74275298 0.74276212 1.0 Zr Zr6 1 0.76426835 0.00000009 0.25723920 1.0 Zr Zr7 1 0.23573249 0.74275371 0.99998865 1.0 Zr Zr8 1 0.23573072 0.25722829 0.25723954 1.0 Zr Zr9 1 0.23573428 0.00000715 0.74276024 1.0 Sn Sn10 1 0.74820507 0.60780631 0.00001734 1.0 Sn Sn11 1 0.74821155 0.39221010 0.39219687 1.0 Sn Sn12 1 0.74820477 0.99999108 0.60779361 1.0 Sn Sn13 1 0.25179320 0.39221676 0.00002471 1.0 Sn Sn14 1 0.25179227 0.60780331 0.60779220 1.0 Sn Sn15 1 0.25179430 0.99999440 0.39219881 1.0 Se Se16 1 0.49999896 0.00003747 0.00003214 1.0