# generated using pymatgen data_Ac3C3Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.38420035 _cell_length_b 7.16285605 _cell_length_c 8.08128258 _cell_angle_alpha 75.78155828 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac3C3Cl2 _chemical_formula_sum 'Ac12 C12 Cl8' _cell_volume 751.01200922 _cell_formula_units_Z 4 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 Ac Ac0 1 0.15121733 0.13495839 0.26476877 1.0 Ac Ac1 1 0.65121733 0.36504161 0.73523123 1.0 Ac Ac2 1 0.17825868 0.86987550 0.87746360 1.0 Ac Ac3 1 0.99302873 0.62256633 0.19304424 1.0 Ac Ac4 1 0.50697127 0.12256633 0.19304424 1.0 Ac Ac5 1 0.32174132 0.36987550 0.87746360 1.0 Ac Ac6 1 0.82174132 0.13012450 0.12253640 1.0 Ac Ac7 1 0.34878267 0.63495839 0.26476877 1.0 Ac Ac8 1 0.67825868 0.63012450 0.12253640 1.0 Ac Ac9 1 0.49302873 0.87743367 0.80695576 1.0 Ac Ac10 1 0.84878267 0.86504161 0.73523123 1.0 Ac Ac11 1 0.00697127 0.37743367 0.80695576 1.0 C C12 1 0.29699469 0.02244537 0.10981757 1.0 C C13 1 0.63325928 0.02542942 0.99603312 1.0 C C14 1 0.79699469 0.47755463 0.89018243 1.0 C C15 1 0.86674072 0.52542942 0.99603312 1.0 C C16 1 0.47098271 0.52845241 0.05662403 1.0 C C17 1 0.70300531 0.97755463 0.89018243 1.0 C C18 1 0.13325928 0.47457058 0.00396688 1.0 C C19 1 0.20300531 0.52244537 0.10981757 1.0 C C20 1 0.52901729 0.47154759 0.94337597 1.0 C C21 1 0.02901729 0.02845241 0.05662403 1.0 C C22 1 0.97098271 0.97154759 0.94337597 1.0 C C23 1 0.36674072 0.97457058 0.00396688 1.0 Cl Cl24 1 0.31389752 0.77007154 0.60937252 1.0 Cl Cl25 1 0.55718817 0.73562615 0.45130512 1.0 Cl Cl26 1 0.44281183 0.26437385 0.54869488 1.0 Cl Cl27 1 0.18610248 0.27007154 0.60937252 1.0 Cl Cl28 1 0.94281183 0.23562615 0.45130512 1.0 Cl Cl29 1 0.81389752 0.72992846 0.39062748 1.0 Cl Cl30 1 0.05718817 0.76437385 0.54869488 1.0 Cl Cl31 1 0.68610248 0.22992846 0.39062748 1.0