# generated using pymatgen data_Cu5(Si2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40216300 _cell_length_b 9.83443600 _cell_length_c 20.08671100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5(Si2O7)2 _chemical_formula_sum 'Cu20 Si16 O56' _cell_volume 1067.15124062 _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 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu4 1 0.95031200 0.17179300 0.47587100 1.0 Cu Cu5 1 0.54968800 0.67179300 0.52412900 1.0 Cu Cu6 1 0.45031200 0.82820700 0.02412900 1.0 Cu Cu7 1 0.04968800 0.32820700 0.97587100 1.0 Cu Cu8 1 0.04968800 0.82820700 0.52412900 1.0 Cu Cu9 1 0.45031200 0.32820700 0.47587100 1.0 Cu Cu10 1 0.54968800 0.17179300 0.97587100 1.0 Cu Cu11 1 0.95031200 0.67179300 0.02412900 1.0 Cu Cu12 1 0.02011800 0.25109200 0.22029400 1.0 Cu Cu13 1 0.47988200 0.75109200 0.77970600 1.0 Cu Cu14 1 0.52011800 0.74890800 0.27970600 1.0 Cu Cu15 1 0.97988200 0.24890800 0.72029400 1.0 Cu Cu16 1 0.97988200 0.74890800 0.77970600 1.0 Cu Cu17 1 0.52011800 0.24890800 0.22029400 1.0 Cu Cu18 1 0.47988200 0.25109200 0.72029400 1.0 Cu Cu19 1 0.02011800 0.75109200 0.27970600 1.0 Si Si20 1 0.26416100 0.10074300 0.34440800 1.0 Si Si21 1 0.23583900 0.60074300 0.65559200 1.0 Si Si22 1 0.76416100 0.89925700 0.15559200 1.0 Si Si23 1 0.73583900 0.39925700 0.84440800 1.0 Si Si24 1 0.73583900 0.89925700 0.65559200 1.0 Si Si25 1 0.76416100 0.39925700 0.34440800 1.0 Si Si26 1 0.23583900 0.10074300 0.84440800 1.0 Si Si27 1 0.26416100 0.60074300 0.15559200 1.0 Si Si28 1 0.27449100 0.54899400 0.36577200 1.0 Si Si29 1 0.22550900 0.04899400 0.63422800 1.0 Si Si30 1 0.77449100 0.45100600 0.13422800 1.0 Si Si31 1 0.72550900 0.95100600 0.86577200 1.0 Si Si32 1 0.72550900 0.45100600 0.63422800 1.0 Si Si33 1 0.77449100 0.95100600 0.36577200 1.0 Si Si34 1 0.22550900 0.54899400 0.86577200 1.0 Si Si35 1 0.27449100 0.04899400 0.13422800 1.0 O O36 1 0.52380600 0.49537500 0.32715600 1.0 O O37 1 0.97619400 0.99537500 0.67284400 1.0 O O38 1 0.02380600 0.50462500 0.17284400 1.0 O O39 1 0.47619400 0.00462500 0.82715600 1.0 O O40 1 0.47619400 0.50462500 0.67284400 1.0 O O41 1 0.02380600 0.00462500 0.32715600 1.0 O O42 1 0.97619400 0.49537500 0.82715600 1.0 O O43 1 0.52380600 0.99537500 0.17284400 1.0 O O44 1 0.24119100 0.15469400 0.42038300 1.0 O O45 1 0.25880900 0.65469400 0.57961700 1.0 O O46 1 0.74119100 0.84530600 0.07961700 1.0 O O47 1 0.75880900 0.34530600 0.92038300 1.0 O O48 1 0.75880900 0.84530600 0.57961700 1.0 O O49 1 0.74119100 0.34530600 0.42038300 1.0 O O50 1 0.25880900 0.15469400 0.92038300 1.0 O O51 1 0.24119100 0.65469400 0.07961700 1.0 O O52 1 0.29703600 0.50837100 0.44563800 1.0 O O53 1 0.20296400 0.00837100 0.55436200 1.0 O O54 1 0.79703600 0.49162900 0.05436200 1.0 O O55 1 0.70296400 0.99162900 0.94563800 1.0 O O56 1 0.70296400 0.49162900 0.55436200 1.0 O O57 1 0.79703600 0.99162900 0.44563800 1.0 O O58 1 0.20296400 0.50837100 0.94563800 1.0 O O59 1 0.29703600 0.00837100 0.05436200 1.0 O O60 1 0.27064900 0.21849700 0.28621200 1.0 O O61 1 0.22935100 0.71849700 0.71378800 1.0 O O62 1 0.77064900 0.78150300 0.21378800 1.0 O O63 1 0.72935100 0.28150300 0.78621200 1.0 O O64 1 0.72935100 0.78150300 0.71378800 1.0 O O65 1 0.77064900 0.28150300 0.28621200 1.0 O O66 1 0.22935100 0.21849700 0.78621200 1.0 O O67 1 0.27064900 0.71849700 0.21378800 1.0 O O68 1 0.26708800 0.71147100 0.34643700 1.0 O O69 1 0.23291200 0.21147100 0.65356300 1.0 O O70 1 0.76708800 0.28852900 0.15356300 1.0 O O71 1 0.73291200 0.78852900 0.84643700 1.0 O O72 1 0.73291200 0.28852900 0.65356300 1.0 O O73 1 0.76708800 0.78852900 0.34643700 1.0 O O74 1 0.23291200 0.71147100 0.84643700 1.0 O O75 1 0.26708800 0.21147100 0.15356300 1.0 O O76 1 0.52125700 0.01530300 0.33413900 1.0 O O77 1 0.97874300 0.51530300 0.66586100 1.0 O O78 1 0.02125700 0.98469700 0.16586100 1.0 O O79 1 0.47874300 0.48469700 0.83413900 1.0 O O80 1 0.47874300 0.98469700 0.66586100 1.0 O O81 1 0.02125700 0.48469700 0.33413900 1.0 O O82 1 0.97874300 0.01530300 0.83413900 1.0 O O83 1 0.52125700 0.51530300 0.16586100 1.0 O O84 1 0.37639200 0.32190900 0.01774500 1.0 O O85 1 0.12360800 0.82190900 0.98225500 1.0 O O86 1 0.87639200 0.67809100 0.48225500 1.0 O O87 1 0.62360800 0.17809100 0.51774500 1.0 O O88 1 0.62360800 0.67809100 0.98225500 1.0 O O89 1 0.87639200 0.17809100 0.01774500 1.0 O O90 1 0.12360800 0.32190900 0.51774500 1.0 O O91 1 0.37639200 0.82190900 0.48225500 1.0