# generated using pymatgen data_CuH16(ClO8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70698400 _cell_length_b 6.45458400 _cell_length_c 9.38998097 _cell_angle_alpha 73.65431125 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH16(ClO8)2 _chemical_formula_sum 'Cu2 H32 Cl4 O32' _cell_volume 739.02166970 _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 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 H H2 1 0.55897800 0.31592600 0.59792100 1.0 H H3 1 0.05897800 0.68407400 0.90207900 1.0 H H4 1 0.44102200 0.68407400 0.40207900 1.0 H H5 1 0.94102200 0.31592600 0.09792100 1.0 H H6 1 0.63683000 0.31370600 0.46708300 1.0 H H7 1 0.13683000 0.68629400 0.03291700 1.0 H H8 1 0.36317000 0.68629400 0.53291700 1.0 H H9 1 0.86317000 0.31370600 0.96708300 1.0 H H10 1 0.40420500 0.95429400 0.76431900 1.0 H H11 1 0.90420500 0.04570600 0.73568100 1.0 H H12 1 0.59579500 0.04570600 0.23568100 1.0 H H13 1 0.09579500 0.95429400 0.26431900 1.0 H H14 1 0.32047000 0.01238200 0.63468700 1.0 H H15 1 0.82047000 0.98761800 0.86531300 1.0 H H16 1 0.67953000 0.98761800 0.36531300 1.0 H H17 1 0.17953000 0.01238200 0.13468700 1.0 H H18 1 0.62834900 0.89571400 0.74994800 1.0 H H19 1 0.12834900 0.10428600 0.75005200 1.0 H H20 1 0.37165100 0.10428600 0.25005200 1.0 H H21 1 0.87165100 0.89571400 0.24994800 1.0 H H22 1 0.59763000 0.67848200 0.71352100 1.0 H H23 1 0.09763000 0.32151800 0.78647900 1.0 H H24 1 0.40237000 0.32151800 0.28647900 1.0 H H25 1 0.90237000 0.67848200 0.21352100 1.0 H H26 1 0.08128300 0.36885700 0.33881200 1.0 H H27 1 0.58128300 0.63114300 0.16118800 1.0 H H28 1 0.91871700 0.63114300 0.66118800 1.0 H H29 1 0.41871700 0.36885700 0.83881200 1.0 H H30 1 0.19717500 0.40277700 0.28740900 1.0 H H31 1 0.69717500 0.59722300 0.21259100 1.0 H H32 1 0.80282500 0.59722300 0.71259100 1.0 H H33 1 0.30282500 0.40277700 0.78740900 1.0 Cl Cl34 1 0.86003300 0.25617300 0.40903600 1.0 Cl Cl35 1 0.36003300 0.74382700 0.09096400 1.0 Cl Cl36 1 0.13996700 0.74382700 0.59096400 1.0 Cl Cl37 1 0.63996700 0.25617300 0.90903600 1.0 O O38 1 0.76930100 0.39481000 0.41250600 1.0 O O39 1 0.26930100 0.60519000 0.08749400 1.0 O O40 1 0.23069900 0.60519000 0.58749400 1.0 O O41 1 0.73069900 0.39481000 0.91250600 1.0 O O42 1 0.92782400 0.36934200 0.28148800 1.0 O O43 1 0.42782400 0.63065800 0.21851200 1.0 O O44 1 0.07217600 0.63065800 0.71851200 1.0 O O45 1 0.57217600 0.36934200 0.78148800 1.0 O O46 1 0.92180800 0.21729000 0.54307400 1.0 O O47 1 0.42180800 0.78271000 0.95692600 1.0 O O48 1 0.07819200 0.78271000 0.45692600 1.0 O O49 1 0.57819200 0.21729000 0.04307400 1.0 O O50 1 0.82288600 0.05204700 0.38638900 1.0 O O51 1 0.32288600 0.94795300 0.11361100 1.0 O O52 1 0.17711400 0.94795300 0.61361100 1.0 O O53 1 0.67711400 0.05204700 0.88638900 1.0 O O54 1 0.56245300 0.29222600 0.49867600 1.0 O O55 1 0.06245300 0.70777400 0.00132400 1.0 O O56 1 0.43754700 0.70777400 0.50132400 1.0 O O57 1 0.93754700 0.29222600 0.99867600 1.0 O O58 1 0.39354400 0.03752200 0.65974700 1.0 O O59 1 0.89354400 0.96247800 0.84025300 1.0 O O60 1 0.60645600 0.96247800 0.34025300 1.0 O O61 1 0.10645600 0.03752200 0.15974700 1.0 O O62 1 0.61588500 0.83074200 0.66858000 1.0 O O63 1 0.11588500 0.16925800 0.83142000 1.0 O O64 1 0.38411500 0.16925800 0.33142000 1.0 O O65 1 0.88411500 0.83074200 0.16858000 1.0 O O66 1 0.15344900 0.35617500 0.37537000 1.0 O O67 1 0.65344900 0.64382500 0.12463000 1.0 O O68 1 0.84655100 0.64382500 0.62463000 1.0 O O69 1 0.34655100 0.35617500 0.87537000 1.0