# generated using pymatgen data_FeWCl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25223938 _cell_length_b 8.96299584 _cell_length_c 12.77970658 _cell_angle_alpha 86.83347835 _cell_angle_beta 80.88742671 _cell_angle_gamma 69.58724761 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeWCl5 _chemical_formula_sum 'Fe4 W4 Cl20' _cell_volume 662.71668712 _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 Fe Fe0 1 0.94889600 0.60220900 0.25000000 1.0 Fe Fe1 1 0.05110400 0.39779100 0.75000000 1.0 Fe Fe2 1 0.33907200 0.82185700 0.25000000 1.0 Fe Fe3 1 0.66092800 0.17814300 0.75000000 1.0 W W4 1 0.56790500 0.36418900 0.25000000 1.0 W W5 1 0.43209500 0.63581100 0.75000000 1.0 W W6 1 0.72347900 0.05304200 0.25000000 1.0 W W7 1 0.27652100 0.94695800 0.75000000 1.0 Cl Cl8 1 0.23302900 0.79158400 0.61570200 1.0 Cl Cl9 1 0.47538700 0.79158400 0.88429800 1.0 Cl Cl10 1 0.76697100 0.20841600 0.38429800 1.0 Cl Cl11 1 0.52461300 0.20841600 0.11570200 1.0 Cl Cl12 1 0.09804300 0.59519800 0.85771300 1.0 Cl Cl13 1 0.80675900 0.59519800 0.64228700 1.0 Cl Cl14 1 0.90195700 0.40480200 0.14228700 1.0 Cl Cl15 1 0.19324100 0.40480200 0.35771300 1.0 Cl Cl16 1 0.90597600 0.98948700 0.85965800 1.0 Cl Cl17 1 0.60453800 0.98948700 0.64034200 1.0 Cl Cl18 1 0.09402400 0.01051300 0.14034200 1.0 Cl Cl19 1 0.39546200 0.01051300 0.35965800 1.0 Cl Cl20 1 0.42469900 0.40666500 0.64362300 1.0 Cl Cl21 1 0.66863600 0.40666500 0.85637700 1.0 Cl Cl22 1 0.57530100 0.59333500 0.35637700 1.0 Cl Cl23 1 0.33136400 0.59333500 0.14362300 1.0 Cl Cl24 1 0.03863300 0.17396700 0.64226700 1.0 Cl Cl25 1 0.28740000 0.17396700 0.85773300 1.0 Cl Cl26 1 0.96136700 0.82603300 0.35773300 1.0 Cl Cl27 1 0.71260000 0.82603300 0.14226700 1.0