# generated using pymatgen data_W2Se17Cl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.93354900 _cell_length_b 13.77832046 _cell_length_c 13.92835763 _cell_angle_alpha 111.49136684 _cell_angle_beta 99.83102325 _cell_angle_gamma 99.53169565 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2Se17Cl12 _chemical_formula_sum 'W4 Se34 Cl24' _cell_volume 2033.59033474 _cell_formula_units_Z 2 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 W W0 1 0.68557500 0.27078100 0.47911000 1.0 W W1 1 0.31442500 0.72921900 0.52089000 1.0 W W2 1 0.83381500 0.71641000 0.99990600 1.0 W W3 1 0.16618500 0.28359000 0.00009400 1.0 Se Se4 1 0.47779600 0.83220100 0.98538800 1.0 Se Se5 1 0.52220400 0.16779900 0.01461200 1.0 Se Se6 1 0.31945700 0.90682200 0.96510400 1.0 Se Se7 1 0.68054300 0.09317800 0.03489600 1.0 Se Se8 1 0.32546400 0.02049300 0.14404200 1.0 Se Se9 1 0.67453600 0.97950700 0.85595800 1.0 Se Se10 1 0.26344000 0.90020900 0.21749200 1.0 Se Se11 1 0.73656000 0.09979100 0.78250800 1.0 Se Se12 1 0.44336900 0.84623700 0.25170800 1.0 Se Se13 1 0.55663100 0.15376300 0.74829200 1.0 Se Se14 1 0.38456800 0.66521600 0.15287800 1.0 Se Se15 1 0.61543200 0.33478400 0.84712200 1.0 Se Se16 1 0.38981900 0.64860900 0.96442500 1.0 Se Se17 1 0.61018100 0.35139100 0.03557500 1.0 Se Se18 1 0.18186300 0.62750600 0.91965500 1.0 Se Se19 1 0.81813700 0.37249400 0.08034500 1.0 Se Se20 1 0.15065800 0.58704800 0.73583900 1.0 Se Se21 1 0.84934200 0.41295200 0.26416100 1.0 Se Se22 1 0.11741300 0.39861500 0.65678700 1.0 Se Se23 1 0.88258700 0.60138500 0.34321300 1.0 Se Se24 1 0.31041300 0.37608600 0.64955700 1.0 Se Se25 1 0.68958700 0.62391400 0.35044300 1.0 Se Se26 1 0.25397800 0.19243900 0.65774900 1.0 Se Se27 1 0.74602200 0.80756100 0.34225100 1.0 Se Se28 1 0.23530300 0.07114000 0.48841800 1.0 Se Se29 1 0.76469700 0.92886000 0.51158200 1.0 Se Se30 1 0.03551000 0.04843700 0.39963700 1.0 Se Se31 1 0.96449000 0.95156300 0.60036300 1.0 Se Se32 1 0.06810800 0.11965300 0.27512200 1.0 Se Se33 1 0.93189200 0.88034700 0.72487800 1.0 Se Se34 1 0.12640300 0.30973400 0.37572600 1.0 Se Se35 1 0.87359700 0.69026600 0.62427400 1.0 Se Se36 1 0.31976600 0.33933100 0.46496400 1.0 Se Se37 1 0.68023400 0.66066900 0.53503600 1.0 Cl Cl38 1 0.84082400 0.41728400 0.50595900 1.0 Cl Cl39 1 0.15917600 0.58271600 0.49404100 1.0 Cl Cl40 1 0.61115000 0.38649300 0.61122000 1.0 Cl Cl41 1 0.38885000 0.61350700 0.38878000 1.0 Cl Cl42 1 0.53577200 0.12418900 0.45383000 1.0 Cl Cl43 1 0.46422800 0.87581100 0.54617000 1.0 Cl Cl44 1 0.75731200 0.15743800 0.34616300 1.0 Cl Cl45 1 0.24268800 0.84256200 0.65383700 1.0 Cl Cl46 1 0.56929100 0.31015100 0.35223600 1.0 Cl Cl47 1 0.43070900 0.68984900 0.64776400 1.0 Cl Cl48 1 0.80594700 0.23968600 0.61052100 1.0 Cl Cl49 1 0.19405300 0.76031400 0.38947900 1.0 Cl Cl50 1 0.78587400 0.87232500 0.10909700 1.0 Cl Cl51 1 0.21412600 0.12767500 0.89090300 1.0 Cl Cl52 1 0.96676800 0.72570800 0.14721600 1.0 Cl Cl53 1 0.03323200 0.27429200 0.85278400 1.0 Cl Cl54 1 0.88275500 0.56157600 0.89386700 1.0 Cl Cl55 1 0.11724500 0.43842400 0.10613300 1.0 Cl Cl56 1 0.69212200 0.70157000 0.85393500 1.0 Cl Cl57 1 0.30787800 0.29843000 0.14606500 1.0 Cl Cl58 1 0.68273600 0.61045000 0.04011700 1.0 Cl Cl59 1 0.31726400 0.38955000 0.95988300 1.0 Cl Cl60 1 0.97573200 0.82394800 0.96062400 1.0 Cl Cl61 1 0.02426800 0.17605200 0.03937600 1.0