# generated using pymatgen data_Cu9Se4(Cl3O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35966800 _cell_length_b 13.09122000 _cell_length_c 15.19452270 _cell_angle_alpha 60.14868086 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu9Se4(Cl3O7)2 _chemical_formula_sum 'Cu18 Se8 Cl12 O28' _cell_volume 1097.18781283 _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 Cu Cu0 1 0.47326600 0.59177900 0.38036400 1.0 Cu Cu1 1 0.01690600 0.77001300 0.28461500 1.0 Cu Cu2 1 0.02673400 0.59177900 0.88036400 1.0 Cu Cu3 1 0.01121500 0.71424400 0.61622400 1.0 Cu Cu4 1 0.98309400 0.22998700 0.71538500 1.0 Cu Cu5 1 0.97326600 0.40822100 0.11963600 1.0 Cu Cu6 1 0.48878500 0.71424400 0.11622400 1.0 Cu Cu7 1 0.52673400 0.40822100 0.61963600 1.0 Cu Cu8 1 0.75701000 0.50027400 0.74957000 1.0 Cu Cu9 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu10 1 0.24299000 0.49972600 0.25043000 1.0 Cu Cu11 1 0.25701000 0.49972600 0.75043000 1.0 Cu Cu12 1 0.51690600 0.22998700 0.21538500 1.0 Cu Cu13 1 0.48309400 0.77001300 0.78461500 1.0 Cu Cu14 1 0.51121500 0.28575600 0.88377600 1.0 Cu Cu15 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu16 1 0.98878500 0.28575600 0.38377600 1.0 Cu Cu17 1 0.74299000 0.50027400 0.24957000 1.0 Se Se18 1 0.00403900 0.30070600 0.96057800 1.0 Se Se19 1 0.98280500 0.86699200 0.74558500 1.0 Se Se20 1 0.51719500 0.86699200 0.24558500 1.0 Se Se21 1 0.50403900 0.69929400 0.53942200 1.0 Se Se22 1 0.49596100 0.30070600 0.46057800 1.0 Se Se23 1 0.01719500 0.13300800 0.25441500 1.0 Se Se24 1 0.99596100 0.69929400 0.03942200 1.0 Se Se25 1 0.48280500 0.13300800 0.75441500 1.0 Cl Cl26 1 0.02736100 0.85927300 0.44860900 1.0 Cl Cl27 1 0.99460500 0.42836700 0.63345600 1.0 Cl Cl28 1 0.46279900 0.94863900 0.65052700 1.0 Cl Cl29 1 0.97263900 0.14072700 0.55139100 1.0 Cl Cl30 1 0.53720100 0.05136100 0.34947300 1.0 Cl Cl31 1 0.52736100 0.14072700 0.05139100 1.0 Cl Cl32 1 0.47263900 0.85927300 0.94860900 1.0 Cl Cl33 1 0.50539500 0.42836700 0.13345600 1.0 Cl Cl34 1 0.96279900 0.05136100 0.84947300 1.0 Cl Cl35 1 0.49460500 0.57163300 0.86654400 1.0 Cl Cl36 1 0.03720100 0.94863900 0.15052700 1.0 Cl Cl37 1 0.00539500 0.57163300 0.36654400 1.0 O O38 1 0.67473700 0.24681900 0.68989400 1.0 O O39 1 0.69420200 0.34006800 0.36995100 1.0 O O40 1 0.49390000 0.57963000 0.25848100 1.0 O O41 1 0.46354800 0.13456100 0.86836600 1.0 O O42 1 0.01378300 0.58098800 0.01693200 1.0 O O43 1 0.78440400 0.76766700 0.81441500 1.0 O O44 1 0.96354800 0.86543900 0.63163400 1.0 O O45 1 0.00610000 0.57963000 0.75848100 1.0 O O46 1 0.30579800 0.65993200 0.63004900 1.0 O O47 1 0.17473700 0.75318100 0.81010600 1.0 O O48 1 0.21491300 0.34393100 0.87719000 1.0 O O49 1 0.71559600 0.76766700 0.31441500 1.0 O O50 1 0.71491300 0.65606900 0.62281000 1.0 O O51 1 0.80579800 0.34006800 0.86995100 1.0 O O52 1 0.99390000 0.42037000 0.24151900 1.0 O O53 1 0.21559600 0.23233300 0.18558500 1.0 O O54 1 0.51378300 0.41901200 0.48306800 1.0 O O55 1 0.32526300 0.75318100 0.31010600 1.0 O O56 1 0.19420200 0.65993200 0.13004900 1.0 O O57 1 0.98621700 0.41901200 0.98306800 1.0 O O58 1 0.28440400 0.23233300 0.68558500 1.0 O O59 1 0.03645200 0.13456100 0.36836600 1.0 O O60 1 0.82526300 0.24681900 0.18989400 1.0 O O61 1 0.28508700 0.34393100 0.37719000 1.0 O O62 1 0.78508700 0.65606900 0.12281000 1.0 O O63 1 0.48621700 0.58098800 0.51693200 1.0 O O64 1 0.53645200 0.86543900 0.13163400 1.0 O O65 1 0.50610000 0.42037000 0.74151900 1.0