# generated using pymatgen data_Hf3Zr7Sn6Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81502632 _cell_length_b 8.53472467 _cell_length_c 8.53465850 _cell_angle_alpha 120.00025289 _cell_angle_beta 90.00249615 _cell_angle_gamma 89.99744166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr7Sn6Cl _chemical_formula_sum 'Hf3 Zr7 Sn6 Cl1' _cell_volume 366.82326560 _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 0.50000003 0.33331988 0.66665213 1.0 Hf Hf1 1 0.50000072 0.66667271 0.33334551 1.0 Hf Hf2 1 0.99999984 0.66665006 0.33331603 1.0 Zr Zr3 1 0.99999989 0.33334399 0.66668527 1.0 Zr Zr4 1 0.76544172 0.25615704 0.00011451 1.0 Zr Zr5 1 0.76538926 0.74394329 0.74382631 1.0 Zr Zr6 1 0.76537812 0.99988499 0.25606129 1.0 Zr Zr7 1 0.23455929 0.74395958 0.00011823 1.0 Zr Zr8 1 0.23461026 0.25618033 0.25605203 1.0 Zr Zr9 1 0.23462220 0.99989544 0.74382885 1.0 Sn Sn10 1 0.74697012 0.60721083 0.00077945 1.0 Sn Sn11 1 0.74701169 0.39353911 0.39274721 1.0 Sn Sn12 1 0.74702928 0.99923161 0.60646655 1.0 Sn Sn13 1 0.25303152 0.39353395 0.00078340 1.0 Sn Sn14 1 0.25298615 0.60723228 0.60643832 1.0 Sn Sn15 1 0.25297038 0.99923728 0.39278209 1.0 Cl Cl16 1 0.50000053 0.00000863 0.00000179 1.0