# generated using pymatgen data_Li2Cu2(Si2O5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.22073612 _cell_length_b 11.22073612 _cell_length_c 10.18600100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.11588313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Cu2(Si2O5)3 _chemical_formula_sum 'Li8 Cu8 Si24 O60' _cell_volume 1262.53106752 _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 Li Li0 1 0.49618900 0.00381100 0.25000000 1.0 Li Li1 1 0.00381100 0.49618900 0.75000000 1.0 Li Li2 1 0.59713300 0.40286700 0.74296900 1.0 Li Li3 1 0.90286700 0.09713300 0.24296900 1.0 Li Li4 1 0.40286700 0.59713300 0.25703100 1.0 Li Li5 1 0.09713300 0.90286700 0.75703100 1.0 Li Li6 1 0.99618900 0.50381100 0.25000000 1.0 Li Li7 1 0.50381100 0.99618900 0.75000000 1.0 Cu Cu8 1 0.24767500 0.24767500 0.00000000 1.0 Cu Cu9 1 0.15786500 0.34213500 0.25000000 1.0 Cu Cu10 1 0.34213500 0.15786500 0.75000000 1.0 Cu Cu11 1 0.25232500 0.25232500 0.50000000 1.0 Cu Cu12 1 0.74767500 0.74767500 0.50000000 1.0 Cu Cu13 1 0.84213500 0.65786500 0.75000000 1.0 Cu Cu14 1 0.65786500 0.84213500 0.25000000 1.0 Cu Cu15 1 0.75232500 0.75232500 0.00000000 1.0 Si Si16 1 0.18106300 0.04192800 0.18707300 1.0 Si Si17 1 0.04192800 0.18106300 0.81292700 1.0 Si Si18 1 0.57979500 0.19471200 0.54396900 1.0 Si Si19 1 0.19471200 0.57979500 0.45603100 1.0 Si Si20 1 0.07979500 0.69471200 0.95603100 1.0 Si Si21 1 0.69471200 0.07979500 0.04396900 1.0 Si Si22 1 0.31893700 0.45807200 0.68707300 1.0 Si Si23 1 0.45807200 0.31893700 0.31292700 1.0 Si Si24 1 0.76073700 0.01759900 0.51573300 1.0 Si Si25 1 0.51759900 0.26073700 0.01573300 1.0 Si Si26 1 0.01759900 0.76073700 0.48426700 1.0 Si Si27 1 0.26073700 0.51759900 0.98426700 1.0 Si Si28 1 0.98240100 0.23926300 0.51573300 1.0 Si Si29 1 0.73926300 0.48240100 0.01573300 1.0 Si Si30 1 0.23926300 0.98240100 0.48426700 1.0 Si Si31 1 0.48240100 0.73926300 0.98426700 1.0 Si Si32 1 0.68106300 0.54192800 0.31292700 1.0 Si Si33 1 0.54192800 0.68106300 0.68707300 1.0 Si Si34 1 0.92020500 0.30528800 0.04396900 1.0 Si Si35 1 0.42020500 0.80528800 0.45603100 1.0 Si Si36 1 0.80528800 0.42020500 0.54396900 1.0 Si Si37 1 0.30528800 0.92020500 0.95603100 1.0 Si Si38 1 0.95807200 0.81893700 0.18707300 1.0 Si Si39 1 0.81893700 0.95807200 0.81292700 1.0 O O40 1 0.24476700 0.02312800 0.32877400 1.0 O O41 1 0.02312800 0.24476700 0.67122600 1.0 O O42 1 0.15471400 0.17588700 0.15534900 1.0 O O43 1 0.17588700 0.15471400 0.84465100 1.0 O O44 1 0.09347800 0.23624100 0.41693700 1.0 O O45 1 0.23624100 0.09347800 0.58306300 1.0 O O46 1 0.26375900 0.40652200 0.08306300 1.0 O O47 1 0.40652200 0.26375900 0.91693700 1.0 O O48 1 0.34528600 0.32411300 0.65534900 1.0 O O49 1 0.32411300 0.34528600 0.34465100 1.0 O O50 1 0.65676300 0.01254400 0.18036500 1.0 O O51 1 0.01254400 0.65676300 0.81963500 1.0 O O52 1 0.15676300 0.51254400 0.31963500 1.0 O O53 1 0.51254400 0.15676300 0.68036500 1.0 O O54 1 0.22262300 0.49450900 0.57931300 1.0 O O55 1 0.99450900 0.72262300 0.07931300 1.0 O O56 1 0.72262300 0.99450900 0.92068700 1.0 O O57 1 0.49450900 0.22262300 0.42068700 1.0 O O58 1 0.14370300 0.58342700 0.01065100 1.0 O O59 1 0.64370300 0.08342700 0.48934900 1.0 O O60 1 0.08342700 0.64370300 0.51065100 1.0 O O61 1 0.58342700 0.14370300 0.98934900 1.0 O O62 1 0.47687200 0.25523300 0.17122600 1.0 O O63 1 0.25523300 0.47687200 0.82877400 1.0 O O64 1 0.61816300 0.38183700 0.98238600 1.0 O O65 1 0.95092000 0.04908000 0.81813900 1.0 O O66 1 0.88183700 0.11816300 0.48238600 1.0 O O67 1 0.32041100 0.67958900 0.42802200 1.0 O O68 1 0.04908000 0.95092000 0.18186100 1.0 O O69 1 0.17958900 0.82041100 0.92802200 1.0 O O70 1 0.45092000 0.54908000 0.68186100 1.0 O O71 1 0.11816300 0.88183700 0.51761400 1.0 O O72 1 0.38183700 0.61816300 0.01761400 1.0 O O73 1 0.82041100 0.17958900 0.07197800 1.0 O O74 1 0.54908000 0.45092000 0.31813900 1.0 O O75 1 0.67958900 0.32041100 0.57197800 1.0 O O76 1 0.74476700 0.52312800 0.17122600 1.0 O O77 1 0.52312800 0.74476700 0.82877400 1.0 O O78 1 0.85629700 0.41657300 0.98934900 1.0 O O79 1 0.41657300 0.85629700 0.01065100 1.0 O O80 1 0.35629700 0.91657300 0.51065100 1.0 O O81 1 0.91657300 0.35629700 0.48934900 1.0 O O82 1 0.00549100 0.27737700 0.92068700 1.0 O O83 1 0.77737700 0.50549100 0.42068700 1.0 O O84 1 0.50549100 0.77737700 0.57931300 1.0 O O85 1 0.27737700 0.00549100 0.07931300 1.0 O O86 1 0.98745600 0.34323700 0.18036500 1.0 O O87 1 0.48745600 0.84323700 0.31963500 1.0 O O88 1 0.34323700 0.98745600 0.81963500 1.0 O O89 1 0.84323700 0.48745600 0.68036500 1.0 O O90 1 0.65471400 0.67588700 0.34465100 1.0 O O91 1 0.67588700 0.65471400 0.65534900 1.0 O O92 1 0.59347800 0.73624100 0.08306300 1.0 O O93 1 0.73624100 0.59347800 0.91693700 1.0 O O94 1 0.76375900 0.90652200 0.41693700 1.0 O O95 1 0.90652200 0.76375800 0.58306300 1.0 O O96 1 0.82411300 0.84528600 0.15534900 1.0 O O97 1 0.84528600 0.82411300 0.84465100 1.0 O O98 1 0.97687200 0.75523300 0.32877400 1.0 O O99 1 0.75523300 0.97687200 0.67122600 1.0