# generated using pymatgen data_Cu2CO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94087200 _cell_length_b 2.99053900 _cell_length_c 12.83522689 _cell_angle_alpha 80.05562988 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2CO5 _chemical_formula_sum 'Cu8 C4 O20' _cell_volume 338.03253097 _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 0.50972600 0.01848300 0.72053800 1.0 Cu Cu1 1 0.00972600 0.98151700 0.77946200 1.0 Cu Cu2 1 0.49027400 0.98151700 0.27946200 1.0 Cu Cu3 1 0.99027400 0.01848300 0.22053800 1.0 Cu Cu4 1 0.74146000 0.40536000 0.87946100 1.0 Cu Cu5 1 0.24146000 0.59464000 0.62053900 1.0 Cu Cu6 1 0.25854000 0.59464000 0.12053900 1.0 Cu Cu7 1 0.75854000 0.40536000 0.37946100 1.0 C C8 1 0.78292400 0.36783800 0.62886500 1.0 C C9 1 0.28292400 0.63216200 0.87113500 1.0 C C10 1 0.21707600 0.63216200 0.37113500 1.0 C C11 1 0.71707600 0.36783800 0.12886500 1.0 O O12 1 0.63814300 0.44402400 0.63445400 1.0 O O13 1 0.13814300 0.55597600 0.86554600 1.0 O O14 1 0.36185700 0.55597600 0.36554600 1.0 O O15 1 0.86185700 0.44402400 0.13445400 1.0 O O16 1 0.85726700 0.39528200 0.71715700 1.0 O O17 1 0.35726700 0.60471800 0.78284300 1.0 O O18 1 0.14273300 0.60471800 0.28284300 1.0 O O19 1 0.64273300 0.39528200 0.21715700 1.0 O O20 1 0.84530200 0.28803900 0.54769800 1.0 O O21 1 0.34530200 0.71196100 0.95230200 1.0 O O22 1 0.15469800 0.71196100 0.45230200 1.0 O O23 1 0.65469800 0.28803900 0.04769800 1.0 O O24 1 0.61631900 0.93153800 0.84712500 1.0 O O25 1 0.11631900 0.06846200 0.65287500 1.0 O O26 1 0.38368100 0.06846200 0.15287500 1.0 O O27 1 0.88368100 0.93153800 0.34712500 1.0 O O28 1 0.87442200 0.88971400 0.89703200 1.0 O O29 1 0.37442200 0.11028600 0.60296800 1.0 O O30 1 0.12557800 0.11028600 0.10296800 1.0 O O31 1 0.62557800 0.88971400 0.39703200 1.0