# generated using pymatgen data_LiCu3(CO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.01203845 _cell_length_b 14.03601840 _cell_length_c 3.20035758 _cell_angle_alpha 93.90117149 _cell_angle_beta 91.11134142 _cell_angle_gamma 59.18698607 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu3(CO3)3 _chemical_formula_sum 'Li3 Cu9 C9 O27' _cell_volume 539.23700740 _cell_formula_units_Z 3 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 0.17824900 0.25132300 0.00241100 1.0 Li Li1 1 0.51993700 0.58380700 0.01150700 1.0 Li Li2 1 0.87355200 0.89901000 0.97461900 1.0 Cu Cu3 1 0.12089800 0.76981800 0.51059500 1.0 Cu Cu4 1 0.44910500 0.81285900 0.50114200 1.0 Cu Cu5 1 0.10898900 0.46182000 0.44723800 1.0 Cu Cu6 1 0.44112400 0.42945800 0.57693400 1.0 Cu Cu7 1 0.11064100 0.08972000 0.48978500 1.0 Cu Cu8 1 0.79452100 0.73926700 0.51367300 1.0 Cu Cu9 1 0.75839100 0.44187900 0.52894600 1.0 Cu Cu10 1 0.44494300 0.11309000 0.43321500 1.0 Cu Cu11 1 0.78198000 0.12861200 0.49014200 1.0 C C12 1 0.00540300 0.66183600 0.99807800 1.0 C C13 1 0.33505900 0.68241400 0.53762000 1.0 C C14 1 0.68656900 0.98351400 0.46474100 1.0 C C15 1 0.33370300 0.32992600 0.00518500 1.0 C C16 1 0.66242700 0.66696900 0.01658900 1.0 C C17 1 0.65218900 0.33820800 0.99220200 1.0 C C18 1 0.33289100 0.01450900 0.01052800 1.0 C C19 1 0.98995700 0.32828700 0.51135600 1.0 C C20 1 0.99732300 0.99808300 0.97800700 1.0 O O21 1 0.01302300 0.89834200 0.92746900 1.0 O O22 1 0.07853200 0.67868300 0.17036700 1.0 O O23 1 0.34431700 0.91773600 0.92570400 1.0 O O24 1 0.02540300 0.55909100 0.94555900 1.0 O O25 1 0.25046600 0.78010100 0.51061700 1.0 O O26 1 0.32299600 0.59919300 0.57930900 1.0 O O27 1 0.68225100 0.89481700 0.47655200 1.0 O O28 1 0.43528600 0.66935600 0.52497000 1.0 O O29 1 0.08716200 0.32129300 0.51404700 1.0 O O30 1 0.78439200 0.97783100 0.49459800 1.0 O O31 1 0.56681700 0.75632100 0.08176300 1.0 O O32 1 0.22850500 0.36036100 0.02883900 1.0 O O33 1 0.36369300 0.40328000 0.07218800 1.0 O O34 1 0.07946000 0.01473600 0.93792800 1.0 O O35 1 0.66626700 0.57331700 0.92271600 1.0 O O36 1 0.75274000 0.67082100 0.03515300 1.0 O O37 1 0.55020400 0.42714200 0.03213800 1.0 O O38 1 0.23652900 0.09722800 0.14215700 1.0 O O39 1 0.40541600 0.22738200 0.91322500 1.0 O O40 1 0.91058200 0.74359200 0.88306800 1.0 O O41 1 0.73677400 0.34671100 0.10008600 1.0 O O42 1 0.41700000 0.02867500 0.96874900 1.0 O O43 1 0.66185000 0.24700400 0.83934200 1.0 O O44 1 0.90256900 0.42395500 0.48845100 1.0 O O45 1 0.60090400 0.07715100 0.42001300 1.0 O O46 1 0.98433500 0.24057000 0.53336500 1.0 O O47 1 0.89859700 0.08117000 0.06802800 1.0