# generated using pymatgen data_CoCu2(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27059146 _cell_length_b 9.27057673 _cell_length_c 14.94114900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.50942826 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2(BO3)2 _chemical_formula_sum 'Co4 Cu8 B8 O24' _cell_volume 451.61729447 _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 Co Co0 1 0.80475500 0.62187200 0.86299000 1.0 Co Co1 1 0.19524500 0.87812800 0.36299000 1.0 Co Co2 1 0.80475500 0.12187200 0.63701000 1.0 Co Co3 1 0.19524500 0.37812800 0.13701000 1.0 Cu Cu4 1 0.31056400 0.36305400 0.54317600 1.0 Cu Cu5 1 0.31056400 0.86305400 0.95682400 1.0 Cu Cu6 1 0.68943600 0.63694600 0.45682400 1.0 Cu Cu7 1 0.68943600 0.13694600 0.04317600 1.0 Cu Cu8 1 0.66708900 0.12473700 0.25758800 1.0 Cu Cu9 1 0.33291100 0.37526300 0.75758800 1.0 Cu Cu10 1 0.66708900 0.62473700 0.24241200 1.0 Cu Cu11 1 0.33291100 0.87526300 0.74241200 1.0 B B12 1 0.81342800 0.59505100 0.65219800 1.0 B B13 1 0.86348700 0.66517200 0.07974300 1.0 B B14 1 0.18657200 0.40494900 0.34780200 1.0 B B15 1 0.13651300 0.83482800 0.57974300 1.0 B B16 1 0.81342800 0.09505100 0.84780200 1.0 B B17 1 0.86348700 0.16517200 0.42025700 1.0 B B18 1 0.13651300 0.33482800 0.92025700 1.0 B B19 1 0.18657200 0.90494900 0.15219800 1.0 O O20 1 0.76905600 0.53009800 0.73348500 1.0 O O21 1 0.76905600 0.03009800 0.76651500 1.0 O O22 1 0.69816700 0.03757300 0.38376600 1.0 O O23 1 0.30183300 0.96242700 0.61623400 1.0 O O24 1 0.08989100 0.29744600 0.00623800 1.0 O O25 1 0.66442700 0.74013600 0.34614000 1.0 O O26 1 0.66442700 0.24013600 0.15386000 1.0 O O27 1 0.08989100 0.79744600 0.49376200 1.0 O O28 1 0.67964600 0.53647900 0.57323500 1.0 O O29 1 0.30183300 0.46242700 0.88376600 1.0 O O30 1 0.91010900 0.20255400 0.50623800 1.0 O O31 1 0.01524800 0.23638700 0.84861500 1.0 O O32 1 0.32035400 0.96352100 0.07323500 1.0 O O33 1 0.33557300 0.75986400 0.84614000 1.0 O O34 1 0.98475200 0.76361300 0.15138500 1.0 O O35 1 0.23094400 0.46990200 0.26651500 1.0 O O36 1 0.32035400 0.46352100 0.42676500 1.0 O O37 1 0.01524800 0.73638700 0.65138500 1.0 O O38 1 0.69816700 0.53757300 0.11623400 1.0 O O39 1 0.23094400 0.96990200 0.23348500 1.0 O O40 1 0.98475200 0.26361300 0.34861500 1.0 O O41 1 0.91010900 0.70255400 0.99376200 1.0 O O42 1 0.33557300 0.25986400 0.65386000 1.0 O O43 1 0.67964600 0.03647900 0.92676500 1.0