# generated using pymatgen data_Mo9Se11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02403729 _cell_length_b 9.02403729 _cell_length_c 11.17894900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.79066905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo9Se11 _chemical_formula_sum 'Mo18 Se22' _cell_volume 905.69282164 _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 0.48158600 0.90068800 0.37022300 1.0 Mo Mo1 1 0.51841400 0.09931200 0.87022300 1.0 Mo Mo2 1 0.90068800 0.48158600 0.62977700 1.0 Mo Mo3 1 0.09931200 0.51841400 0.12977700 1.0 Mo Mo4 1 0.51841400 0.09931200 0.62977700 1.0 Mo Mo5 1 0.48158600 0.90068800 0.12977700 1.0 Mo Mo6 1 0.09931200 0.51841400 0.37022300 1.0 Mo Mo7 1 0.90068800 0.48158600 0.87022300 1.0 Mo Mo8 1 0.69299900 0.92716300 0.75000000 1.0 Mo Mo9 1 0.30700100 0.07283700 0.25000000 1.0 Mo Mo10 1 0.92716300 0.69299900 0.25000000 1.0 Mo Mo11 1 0.07283700 0.30700100 0.75000000 1.0 Mo Mo12 1 0.35306500 0.64693500 0.25000000 1.0 Mo Mo13 1 0.64693500 0.35306500 0.75000000 1.0 Mo Mo14 1 0.82201000 0.17799000 0.62848900 1.0 Mo Mo15 1 0.17799000 0.82201000 0.12848900 1.0 Mo Mo16 1 0.17799000 0.82201000 0.37151100 1.0 Mo Mo17 1 0.82201000 0.17799000 0.87151100 1.0 Se Se18 1 0.41388800 0.87155800 0.75000000 1.0 Se Se19 1 0.58611200 0.12844200 0.25000000 1.0 Se Se20 1 0.87155800 0.41388800 0.25000000 1.0 Se Se21 1 0.12844200 0.58611200 0.75000000 1.0 Se Se22 1 0.94408500 0.70807600 0.48175600 1.0 Se Se23 1 0.05591500 0.29192400 0.98175600 1.0 Se Se24 1 0.70807600 0.94408500 0.51824400 1.0 Se Se25 1 0.29192400 0.05591500 0.01824400 1.0 Se Se26 1 0.05591500 0.29192400 0.51824400 1.0 Se Se27 1 0.94408500 0.70807600 0.01824400 1.0 Se Se28 1 0.29192400 0.05591500 0.48175600 1.0 Se Se29 1 0.70807600 0.94408500 0.98175600 1.0 Se Se30 1 0.36610900 0.27945400 0.75000000 1.0 Se Se31 1 0.63389100 0.72054600 0.25000000 1.0 Se Se32 1 0.27945400 0.36610900 0.25000000 1.0 Se Se33 1 0.72054600 0.63389100 0.75000000 1.0 Se Se34 1 0.65435000 0.34565000 0.51764000 1.0 Se Se35 1 0.34565000 0.65435000 0.01764000 1.0 Se Se36 1 0.98786100 0.01213900 0.75000000 1.0 Se Se37 1 0.01213900 0.98786100 0.25000000 1.0 Se Se38 1 0.65435000 0.34565000 0.98236000 1.0 Se Se39 1 0.34565000 0.65435000 0.48236000 1.0