# generated using pymatgen data_Hf4Zr6Sn6Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80516506 _cell_length_b 8.52150871 _cell_length_c 8.52160507 _cell_angle_alpha 119.99962851 _cell_angle_beta 90.00163053 _cell_angle_gamma 89.99674292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Zr6Sn6Cl _chemical_formula_sum 'Hf4 Zr6 Sn6 Cl1' _cell_volume 365.07721150 _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 Hf Hf0 1 0.49999993 0.33332688 0.66663766 1.0 Hf Hf1 1 0.49999993 0.66668822 0.33336234 1.0 Hf Hf2 1 0.00000004 0.66665848 0.33330265 1.0 Hf Hf3 1 0.00000004 0.33335583 0.66669735 1.0 Zr Zr4 1 0.76471705 0.25621086 0.00000000 1.0 Zr Zr5 1 0.76460501 0.74377965 0.74380032 1.0 Zr Zr6 1 0.76460501 0.99997833 0.25619968 1.0 Zr Zr7 1 0.23527958 0.74380527 1.00000000 1.0 Zr Zr8 1 0.23539789 0.25621011 0.25622623 1.0 Zr Zr9 1 0.23539789 0.99998489 0.74377377 1.0 Sn Sn10 1 0.74841516 0.60660327 1.00000000 1.0 Sn Sn11 1 0.74851524 0.39341940 0.39343012 1.0 Sn Sn12 1 0.74851524 0.99998928 0.60656988 1.0 Sn Sn13 1 0.25158592 0.39343630 0.00000000 1.0 Sn Sn14 1 0.25148423 0.60658925 0.60660075 1.0 Sn Sn15 1 0.25148423 0.99998850 0.39339925 1.0 Cl Cl16 1 0.49999959 0.99997749 0.00000000 1.0