# generated using pymatgen data_Cu64O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90105971 _cell_length_b 8.90105971 _cell_length_c 10.29532300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.90232807 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu64O _chemical_formula_sum 'Cu64 O1' _cell_volume 766.96928051 _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 Cu Cu0 1 0.31165600 0.68834400 0.12612700 1.0 Cu Cu1 1 0.31165600 0.68834400 0.87387300 1.0 Cu Cu2 1 0.06330500 0.18928900 0.25300300 1.0 Cu Cu3 1 0.81071100 0.93669500 0.74699700 1.0 Cu Cu4 1 0.81071100 0.93669500 0.25300300 1.0 Cu Cu5 1 0.06330500 0.18928900 0.74699700 1.0 Cu Cu6 1 0.80985500 0.19014500 0.12656200 1.0 Cu Cu7 1 0.80985500 0.19014500 0.87343800 1.0 Cu Cu8 1 0.06230000 0.43657100 0.37626000 1.0 Cu Cu9 1 0.56342900 0.93770000 0.62374000 1.0 Cu Cu10 1 0.56342900 0.93770000 0.37626000 1.0 Cu Cu11 1 0.06230000 0.43657100 0.62374000 1.0 Cu Cu12 1 0.81137900 0.43711600 0.25113300 1.0 Cu Cu13 1 0.56288400 0.18862100 0.74886700 1.0 Cu Cu14 1 0.56288400 0.18862100 0.25113300 1.0 Cu Cu15 1 0.81137900 0.43711600 0.74886700 1.0 Cu Cu16 1 0.06249200 0.68603300 0.50000000 1.0 Cu Cu17 1 0.31396700 0.93750800 0.50000000 1.0 Cu Cu18 1 0.56230200 0.43769800 0.37537300 1.0 Cu Cu19 1 0.56230200 0.43769800 0.62462700 1.0 Cu Cu20 1 0.31345000 0.68655000 0.37557200 1.0 Cu Cu21 1 0.31345000 0.68655000 0.62442800 1.0 Cu Cu22 1 0.06257900 0.44297100 0.12845000 1.0 Cu Cu23 1 0.55702900 0.93742100 0.87155000 1.0 Cu Cu24 1 0.55702900 0.93742100 0.12845000 1.0 Cu Cu25 1 0.06257900 0.44297100 0.87155000 1.0 Cu Cu26 1 0.07413600 0.92586400 0.15001800 1.0 Cu Cu27 1 0.07413600 0.92586400 0.84998200 1.0 Cu Cu28 1 0.56311600 0.43688400 0.12584900 1.0 Cu Cu29 1 0.56311600 0.43688400 0.87415100 1.0 Cu Cu30 1 0.81261300 0.18738700 0.37501700 1.0 Cu Cu31 1 0.81261300 0.18738700 0.62498300 1.0 Cu Cu32 1 0.81196700 0.43730900 0.50000000 1.0 Cu Cu33 1 0.56269100 0.18803300 0.50000000 1.0 Cu Cu34 1 0.81242600 0.43800000 0.00000000 1.0 Cu Cu35 1 0.56200000 0.18757400 0.00000000 1.0 Cu Cu36 1 0.81274100 0.68773800 0.37522800 1.0 Cu Cu37 1 0.31226200 0.18725900 0.62477200 1.0 Cu Cu38 1 0.31226200 0.18725900 0.37522800 1.0 Cu Cu39 1 0.81274100 0.68773800 0.62477200 1.0 Cu Cu40 1 0.07135900 0.22043100 0.00000000 1.0 Cu Cu41 1 0.77956900 0.92864100 0.00000000 1.0 Cu Cu42 1 0.31699300 0.44277000 0.00000000 1.0 Cu Cu43 1 0.55723000 0.68300700 0.00000000 1.0 Cu Cu44 1 0.81021400 0.68439600 0.12653900 1.0 Cu Cu45 1 0.31560400 0.18978600 0.87346100 1.0 Cu Cu46 1 0.31560400 0.18978600 0.12653900 1.0 Cu Cu47 1 0.81021400 0.68439600 0.87346100 1.0 Cu Cu48 1 0.06246800 0.18808700 0.50000000 1.0 Cu Cu49 1 0.81191300 0.93753200 0.50000000 1.0 Cu Cu50 1 0.06332600 0.68618400 0.00000000 1.0 Cu Cu51 1 0.31381600 0.93667400 0.00000000 1.0 Cu Cu52 1 0.06267000 0.68198400 0.25465200 1.0 Cu Cu53 1 0.31801600 0.93733000 0.74534800 1.0 Cu Cu54 1 0.31801600 0.93733000 0.25465200 1.0 Cu Cu55 1 0.06267000 0.68198400 0.74534800 1.0 Cu Cu56 1 0.31267800 0.43800800 0.25022400 1.0 Cu Cu57 1 0.56199200 0.68732200 0.74977600 1.0 Cu Cu58 1 0.56199200 0.68732200 0.25022400 1.0 Cu Cu59 1 0.31267800 0.43800800 0.74977600 1.0 Cu Cu60 1 0.06273900 0.93726100 0.38105600 1.0 Cu Cu61 1 0.06273900 0.93726100 0.61894400 1.0 Cu Cu62 1 0.31320200 0.43728900 0.50000000 1.0 Cu Cu63 1 0.56271100 0.68679800 0.50000000 1.0 O O64 1 0.00255100 0.99744900 0.00000000 1.0