# generated using pymatgen data_Mo(SeCl6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.94510142 _cell_length_b 12.80207757 _cell_length_c 9.00314658 _cell_angle_alpha 70.38771105 _cell_angle_beta 68.68214195 _cell_angle_gamma 40.93014700 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo(SeCl6)2 _chemical_formula_sum 'Mo2 Se4 Cl24' _cell_volume 906.05119023 _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 Mo Mo0 1 0.12364300 0.12364300 0.37635700 1.0 Mo Mo1 1 0.87364300 0.87364300 0.12635700 1.0 Se Se2 1 0.47283600 0.93824800 0.57150900 1.0 Se Se3 1 0.67849100 0.23259400 0.77716400 1.0 Se Se4 1 0.93824800 0.47283600 0.01740600 1.0 Se Se5 1 0.23259400 0.67849100 0.31175200 1.0 Cl Cl6 1 0.09020700 0.01172500 0.26184300 1.0 Cl Cl7 1 0.16870800 0.23260100 0.48340500 1.0 Cl Cl8 1 0.23260100 0.16870800 0.11528600 1.0 Cl Cl9 1 0.92264600 0.83090400 0.38716400 1.0 Cl Cl10 1 0.05440300 0.50192300 0.77797600 1.0 Cl Cl11 1 0.61377500 0.98815700 0.23827500 1.0 Cl Cl12 1 0.44934500 0.31411700 0.89912000 1.0 Cl Cl13 1 0.71261900 0.68902600 0.57872800 1.0 Cl Cl14 1 0.91258200 0.35088000 0.93588300 1.0 Cl Cl15 1 0.47202400 0.58430200 0.19559700 1.0 Cl Cl16 1 0.31411700 0.44934500 0.33741800 1.0 Cl Cl17 1 0.39071400 0.86283600 0.41909600 1.0 Cl Cl18 1 0.58430200 0.47202400 0.74807700 1.0 Cl Cl19 1 0.98815700 0.61377500 0.15979300 1.0 Cl Cl20 1 0.67127200 0.23037200 0.53738100 1.0 Cl Cl21 1 0.50192300 0.05440300 0.66569800 1.0 Cl Cl22 1 0.13471400 0.76659500 0.01739900 1.0 Cl Cl23 1 0.68902600 0.71261900 0.01962800 1.0 Cl Cl24 1 0.76659500 0.13471400 0.08129200 1.0 Cl Cl25 1 0.01172500 0.09020700 0.63622500 1.0 Cl Cl26 1 0.35088000 0.91258200 0.80065500 1.0 Cl Cl27 1 0.86283600 0.39071400 0.32735400 1.0 Cl Cl28 1 0.23037200 0.67127200 0.56097400 1.0 Cl Cl29 1 0.83090400 0.92264600 0.85928600 1.0