# generated using pymatgen data_Sc14Cu14O37 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98592278 _cell_length_b 5.98592278 _cell_length_c 40.21693625 _cell_angle_alpha 79.73246639 _cell_angle_beta 79.73246639 _cell_angle_gamma 33.31265142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc14Cu14O37 _chemical_formula_sum 'Sc14 Cu14 O37' _cell_volume 777.60280148 _cell_formula_units_Z 1 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 Sc Sc0 1 0.25726600 0.25726600 0.03631900 1.0 Sc Sc1 1 0.75325700 0.75325700 0.10690500 1.0 Sc Sc2 1 0.23043700 0.23043700 0.17900800 1.0 Sc Sc3 1 0.75234700 0.75234700 0.24971000 1.0 Sc Sc4 1 0.27239500 0.27239500 0.31986400 1.0 Sc Sc5 1 0.72738900 0.72738900 0.39447800 1.0 Sc Sc6 1 0.25535200 0.25535200 0.46382200 1.0 Sc Sc7 1 0.75438000 0.75438000 0.53421400 1.0 Sc Sc8 1 0.23250600 0.23250600 0.60640700 1.0 Sc Sc9 1 0.74429000 0.74429000 0.67783300 1.0 Sc Sc10 1 0.24209500 0.24209500 0.75003500 1.0 Sc Sc11 1 0.74216200 0.74216200 0.82208400 1.0 Sc Sc12 1 0.24205500 0.24205500 0.89398700 1.0 Sc Sc13 1 0.73744900 0.73744900 0.96590100 1.0 Cu Cu14 1 0.00619000 0.00619000 0.99628500 1.0 Cu Cu15 1 0.50513800 0.50513800 0.07313600 1.0 Cu Cu16 1 0.99543100 0.99543100 0.14314200 1.0 Cu Cu17 1 0.50220800 0.50220800 0.20933000 1.0 Cu Cu18 1 0.00317900 0.00317900 0.29117100 1.0 Cu Cu19 1 0.50031100 0.50031100 0.35718300 1.0 Cu Cu20 1 0.99982200 0.99982200 0.42435100 1.0 Cu Cu21 1 0.50495900 0.50495900 0.50127300 1.0 Cu Cu22 1 0.99817000 0.99817000 0.57190300 1.0 Cu Cu23 1 0.50347300 0.50347300 0.64121000 1.0 Cu Cu24 1 0.00477600 0.00477600 0.71218900 1.0 Cu Cu25 1 0.50473000 0.50473000 0.78370400 1.0 Cu Cu26 1 0.00447900 0.00447900 0.85518600 1.0 Cu Cu27 1 0.50280600 0.50280600 0.92624100 1.0 O O28 1 0.83968600 0.83968600 0.00766000 1.0 O O29 1 0.34414100 0.34414100 0.07836400 1.0 O O30 1 0.82929600 0.82929600 0.15019600 1.0 O O31 1 0.66621800 0.66621800 0.06366800 1.0 O O32 1 0.33481600 0.33481600 0.22067400 1.0 O O33 1 0.16234700 0.16234700 0.13178900 1.0 O O34 1 0.02069100 0.02069100 0.19258400 1.0 O O35 1 0.83873100 0.83873100 0.29007400 1.0 O O36 1 0.66551300 0.66551300 0.20839300 1.0 O O37 1 0.47711600 0.47711600 0.31150900 1.0 O O38 1 0.32921300 0.32921300 0.36819700 1.0 O O39 1 0.17036000 0.17036000 0.27757300 1.0 O O40 1 0.83294100 0.83294100 0.43634200 1.0 O O41 1 0.67063000 0.67063000 0.34617100 1.0 O O42 1 0.52395800 0.52395800 0.40281400 1.0 O O43 1 0.34466100 0.34466100 0.50630900 1.0 O O44 1 0.16408100 0.16408100 0.42466800 1.0 O O45 1 0.83341400 0.83341400 0.57730600 1.0 O O46 1 0.66504600 0.66504600 0.49244300 1.0 O O47 1 0.33403300 0.33403300 0.64877900 1.0 O O48 1 0.16418100 0.16418100 0.55920800 1.0 O O49 1 0.02453700 0.02453700 0.61868600 1.0 O O50 1 0.83607800 0.83607800 0.72104900 1.0 O O51 1 0.67185700 0.67185700 0.63390300 1.0 O O52 1 0.51964400 0.51964400 0.69218600 1.0 O O53 1 0.33616300 0.33616300 0.79272600 1.0 O O54 1 0.17240100 0.17240100 0.70537000 1.0 O O55 1 0.02108500 0.02108500 0.76444900 1.0 O O56 1 0.83536300 0.83536300 0.86449400 1.0 O O57 1 0.67234300 0.67234300 0.77724900 1.0 O O58 1 0.52048600 0.52048600 0.83679800 1.0 O O59 1 0.33207900 0.33207900 0.93686400 1.0 O O60 1 0.17226100 0.17226100 0.84910900 1.0 O O61 1 0.01823300 0.01823300 0.90917300 1.0 O O62 1 0.67055200 0.67055200 0.92085300 1.0 O O63 1 0.52264300 0.52264300 0.98210500 1.0 O O64 1 0.17000100 0.17000100 0.99502200 1.0