# generated using pymatgen data_CuH6(CO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96385400 _cell_length_b 8.55829900 _cell_length_c 12.44731300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH6(CO2)4 _chemical_formula_sum 'Cu4 H24 C16 O32' _cell_volume 848.37205639 _cell_formula_units_Z 4 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 0.00000000 0.50000000 0.50000000 1.0 Cu Cu1 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu2 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0 H H4 1 0.10112000 0.12208800 0.76844300 1.0 H H5 1 0.19562600 0.79583100 0.55658700 1.0 H H6 1 0.89888000 0.87791200 0.23155700 1.0 H H7 1 0.11744800 0.02388400 0.38720400 1.0 H H8 1 0.10112000 0.37791200 0.26844300 1.0 H H9 1 0.89888000 0.62208800 0.73155700 1.0 H H10 1 0.60112000 0.37791200 0.23155700 1.0 H H11 1 0.11744800 0.47611600 0.88720400 1.0 H H12 1 0.69562600 0.79583100 0.94341300 1.0 H H13 1 0.38255200 0.52388400 0.38720400 1.0 H H14 1 0.30437400 0.20416900 0.05658700 1.0 H H15 1 0.80437400 0.29583100 0.94341300 1.0 H H16 1 0.39888000 0.87791200 0.26844300 1.0 H H17 1 0.61744800 0.02388400 0.11279600 1.0 H H18 1 0.88255200 0.52388400 0.11279600 1.0 H H19 1 0.88255200 0.97611600 0.61279600 1.0 H H20 1 0.19562600 0.70416900 0.05658700 1.0 H H21 1 0.30437400 0.29583100 0.55658700 1.0 H H22 1 0.39888000 0.62208800 0.76844300 1.0 H H23 1 0.60112000 0.12208800 0.73155700 1.0 H H24 1 0.69562600 0.70416900 0.44341300 1.0 H H25 1 0.80437400 0.20416900 0.44341300 1.0 H H26 1 0.38255200 0.97611600 0.88720400 1.0 H H27 1 0.61744800 0.47611600 0.61279600 1.0 C C28 1 0.00385600 0.54674100 0.75720100 1.0 C C29 1 0.76793300 0.73722400 0.00709200 1.0 C C30 1 0.50385600 0.95325900 0.24279900 1.0 C C31 1 0.99614400 0.45325900 0.24279900 1.0 C C32 1 0.99614400 0.04674100 0.74279900 1.0 C C33 1 0.26793300 0.73722400 0.49290800 1.0 C C34 1 0.73206700 0.23722400 0.00709200 1.0 C C35 1 0.23206700 0.23722400 0.49290800 1.0 C C36 1 0.73206700 0.26277600 0.50709200 1.0 C C37 1 0.23206700 0.26277600 0.99290800 1.0 C C38 1 0.49614400 0.45325900 0.25720100 1.0 C C39 1 0.00385600 0.95325900 0.25720100 1.0 C C40 1 0.50385600 0.54674100 0.74279900 1.0 C C41 1 0.49614400 0.04674100 0.75720100 1.0 C C42 1 0.76793300 0.76277600 0.50709200 1.0 C C43 1 0.26793300 0.76277600 0.99290800 1.0 O O44 1 0.40642700 0.97698400 0.69287900 1.0 O O45 1 0.40016900 0.79974500 0.45618200 1.0 O O46 1 0.40642700 0.52301600 0.19287900 1.0 O O47 1 0.02023900 0.54357500 0.86319400 1.0 O O48 1 0.59357300 0.02301600 0.30712100 1.0 O O49 1 0.52023900 0.95642500 0.13680600 1.0 O O50 1 0.47976100 0.45642500 0.36319400 1.0 O O51 1 0.09983100 0.29974500 0.45618200 1.0 O O52 1 0.02023900 0.95642500 0.36319400 1.0 O O53 1 0.28327500 0.39393000 0.95646200 1.0 O O54 1 0.28327500 0.10607000 0.45646200 1.0 O O55 1 0.47976100 0.04357500 0.86319400 1.0 O O56 1 0.52023900 0.54357500 0.63680600 1.0 O O57 1 0.90642700 0.52301600 0.30712100 1.0 O O58 1 0.97976100 0.04357500 0.63680600 1.0 O O59 1 0.97976100 0.45642500 0.13680600 1.0 O O60 1 0.59983100 0.20025500 0.54381800 1.0 O O61 1 0.90642700 0.97698400 0.80712100 1.0 O O62 1 0.59357300 0.47698400 0.80712100 1.0 O O63 1 0.09983100 0.20025500 0.95618200 1.0 O O64 1 0.90016900 0.70025500 0.54381800 1.0 O O65 1 0.90016900 0.79974500 0.04381800 1.0 O O66 1 0.78327500 0.39393000 0.54353800 1.0 O O67 1 0.71672500 0.60607000 0.04353800 1.0 O O68 1 0.40016900 0.70025500 0.95618200 1.0 O O69 1 0.59983100 0.29974500 0.04381800 1.0 O O70 1 0.09357300 0.02301600 0.19287900 1.0 O O71 1 0.21672500 0.89393000 0.95646200 1.0 O O72 1 0.71672500 0.89393000 0.54353800 1.0 O O73 1 0.09357300 0.47698400 0.69287900 1.0 O O74 1 0.78327500 0.10607000 0.04353800 1.0 O O75 1 0.21672500 0.60607000 0.45646200 1.0