# generated using pymatgen data_Li2Cu3(CO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18749600 _cell_length_b 8.10594600 _cell_length_c 8.14945503 _cell_angle_alpha 60.38195905 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Cu3(CO3)3 _chemical_formula_sum 'Li4 Cu6 C6 O18' _cell_volume 355.33382170 _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 Li Li0 1 0.00000000 0.96510200 0.37756700 1.0 Li Li1 1 0.50000000 0.65613100 0.96700400 1.0 Li Li2 1 0.00000000 0.37890400 0.65624200 1.0 Li Li3 1 0.50000000 0.37979900 0.65621100 1.0 Cu Cu4 1 0.24925700 0.67951800 0.29312000 1.0 Cu Cu5 1 0.75074300 0.67951800 0.29312000 1.0 Cu Cu6 1 0.75125800 0.02019500 0.67532200 1.0 Cu Cu7 1 0.24874200 0.02019500 0.67532200 1.0 Cu Cu8 1 0.25251300 0.29910700 0.03431400 1.0 Cu Cu9 1 0.74748700 0.29910700 0.03431400 1.0 C C10 1 0.25008900 0.66380200 0.66861400 1.0 C C11 1 0.74991100 0.66380200 0.66861400 1.0 C C12 1 0.00000000 0.00450000 0.99630700 1.0 C C13 1 0.50000000 0.99851300 0.99860800 1.0 C C14 1 0.00000000 0.33473500 0.33653300 1.0 C C15 1 0.50000000 0.33445000 0.33174600 1.0 O O16 1 0.00000000 0.93288000 0.88653600 1.0 O O17 1 0.50000000 0.92646400 0.88490200 1.0 O O18 1 0.76599700 0.84466500 0.55889800 1.0 O O19 1 0.23400300 0.84466500 0.55889800 1.0 O O20 1 0.26939000 0.59033100 0.84831500 1.0 O O21 1 0.73061000 0.59033100 0.84831500 1.0 O O22 1 0.00000000 0.89426400 0.18043300 1.0 O O23 1 0.50000000 0.88854300 0.17957700 1.0 O O24 1 0.24725300 0.55119300 0.59380300 1.0 O O25 1 0.75274700 0.55119300 0.59380300 1.0 O O26 1 0.00000000 0.18994800 0.92731900 1.0 O O27 1 0.50000000 0.18283300 0.92469600 1.0 O O28 1 0.00000000 0.51715600 0.25478500 1.0 O O29 1 0.50000000 0.52063200 0.24780600 1.0 O O30 1 0.00000000 0.23334100 0.52150000 1.0 O O31 1 0.50000000 0.23728900 0.51550400 1.0 O O32 1 0.00000000 0.24618900 0.23905500 1.0 O O33 1 0.50000000 0.25165000 0.23111800 1.0