data_image0 _chemical_formula_structural Zr2Cl6 _chemical_formula_sum "Zr2 Cl6" _cell_length_a 19.955861199285405 _cell_length_b 19.98945786510546 _cell_length_c 6.075951271451371 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Zr1 1.0 0.5000000000000324 0.49999999999998973 0.25000000000029415 1.0000 Zr Zr2 1.0 0.5000000000000324 0.49999999999998973 0.7499999999997063 1.0000 Cl Cl1 1.0 0.5251972475840889 0.6001019989744645 0.5000000000000001 1.0000 Cl Cl2 1.0 0.5742395153932002 0.4281854735785619 0.5000000000000001 1.0000 Cl Cl3 1.0 0.5994251695347059 0.5282996696771834 2.6549183033547894e-19 1.0000 Cl Cl4 1.0 0.4005748304652928 0.4717003303227308 0.5000000000000001 1.0000 Cl Cl5 1.0 0.474802752415962 0.39989800102554673 0.0 1.0000 Cl Cl6 1.0 0.4257604846068899 0.5718145264214256 1.39162085463255e-20 1.0000