# generated using pymatgen data_Cu5Si4(HO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33874900 _cell_length_b 10.50888300 _cell_length_c 21.27036000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5Si4(HO7)2 _chemical_formula_sum 'Cu20 Si16 H8 O56' _cell_volume 1193.35841622 _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 0.00000000 0.50000000 0.50000000 1.0 Cu Cu1 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu2 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu4 1 0.47757800 0.31699100 0.52849500 1.0 Cu Cu5 1 0.02242200 0.81699100 0.47150500 1.0 Cu Cu6 1 0.97757800 0.68300900 0.97150500 1.0 Cu Cu7 1 0.52242200 0.18300900 0.02849500 1.0 Cu Cu8 1 0.52242200 0.68300900 0.47150500 1.0 Cu Cu9 1 0.97757800 0.18300900 0.52849500 1.0 Cu Cu10 1 0.02242200 0.31699100 0.02849500 1.0 Cu Cu11 1 0.47757800 0.81699100 0.97150500 1.0 Cu Cu12 1 0.02632100 0.25231700 0.21995100 1.0 Cu Cu13 1 0.47367900 0.75231700 0.78004900 1.0 Cu Cu14 1 0.52632100 0.74768300 0.28004900 1.0 Cu Cu15 1 0.97367900 0.24768300 0.71995100 1.0 Cu Cu16 1 0.97367900 0.74768300 0.78004900 1.0 Cu Cu17 1 0.52632100 0.24768300 0.21995100 1.0 Cu Cu18 1 0.47367900 0.25231700 0.71995100 1.0 Cu Cu19 1 0.02632100 0.75231700 0.28004900 1.0 Si Si20 1 0.27377100 0.55513200 0.36705200 1.0 Si Si21 1 0.22622900 0.05513200 0.63294800 1.0 Si Si22 1 0.77377100 0.44486800 0.13294800 1.0 Si Si23 1 0.72622900 0.94486800 0.86705200 1.0 Si Si24 1 0.72622900 0.44486800 0.63294800 1.0 Si Si25 1 0.77377100 0.94486800 0.36705200 1.0 Si Si26 1 0.22622900 0.55513200 0.86705200 1.0 Si Si27 1 0.27377100 0.05513200 0.13294800 1.0 Si Si28 1 0.76547100 0.40058400 0.33951600 1.0 Si Si29 1 0.73452900 0.90058400 0.66048400 1.0 Si Si30 1 0.26547100 0.59941600 0.16048400 1.0 Si Si31 1 0.23452900 0.09941600 0.83951600 1.0 Si Si32 1 0.23452900 0.59941600 0.66048400 1.0 Si Si33 1 0.26547100 0.09941600 0.33951600 1.0 Si Si34 1 0.73452900 0.40058400 0.83951600 1.0 Si Si35 1 0.76547100 0.90058400 0.16048400 1.0 H H36 1 0.82690200 0.75815900 0.08155400 1.0 H H37 1 0.67309800 0.25815900 0.91844600 1.0 H H38 1 0.32690200 0.24184100 0.41844600 1.0 H H39 1 0.17309800 0.74184100 0.58155400 1.0 H H40 1 0.17309800 0.24184100 0.91844600 1.0 H H41 1 0.32690200 0.74184100 0.08155400 1.0 H H42 1 0.67309800 0.75815900 0.58155400 1.0 H H43 1 0.82690200 0.25815900 0.41844600 1.0 O O44 1 0.28827800 0.54828900 0.44415000 1.0 O O45 1 0.21172200 0.04828900 0.55585000 1.0 O O46 1 0.78827800 0.45171100 0.05585000 1.0 O O47 1 0.71172200 0.95171100 0.94415000 1.0 O O48 1 0.71172200 0.45171100 0.55585000 1.0 O O49 1 0.78827800 0.95171100 0.44415000 1.0 O O50 1 0.21172200 0.54828900 0.94415000 1.0 O O51 1 0.28827800 0.04828900 0.05585000 1.0 O O52 1 0.71225900 0.32739600 0.40678300 1.0 O O53 1 0.78774100 0.82739600 0.59321700 1.0 O O54 1 0.21225900 0.67260400 0.09321700 1.0 O O55 1 0.28774100 0.17260400 0.90678300 1.0 O O56 1 0.28774100 0.67260400 0.59321700 1.0 O O57 1 0.21225900 0.17260400 0.40678300 1.0 O O58 1 0.78774100 0.32739600 0.90678300 1.0 O O59 1 0.71225900 0.82739600 0.09321700 1.0 O O60 1 0.27036500 0.70400500 0.34286500 1.0 O O61 1 0.22963500 0.20400500 0.65713500 1.0 O O62 1 0.77036500 0.29599500 0.15713500 1.0 O O63 1 0.72963500 0.79599500 0.84286500 1.0 O O64 1 0.72963500 0.29599500 0.65713500 1.0 O O65 1 0.77036500 0.79599500 0.34286500 1.0 O O66 1 0.22963500 0.70400500 0.84286500 1.0 O O67 1 0.27036500 0.20400500 0.15713500 1.0 O O68 1 0.52402000 0.49478300 0.33285800 1.0 O O69 1 0.97598000 0.99478300 0.66714200 1.0 O O70 1 0.02402000 0.50521700 0.16714200 1.0 O O71 1 0.47598000 0.00521700 0.83285800 1.0 O O72 1 0.47598000 0.50521700 0.66714200 1.0 O O73 1 0.02402000 0.00521700 0.33285800 1.0 O O74 1 0.97598000 0.49478300 0.83285800 1.0 O O75 1 0.52402000 0.99478300 0.16714200 1.0 O O76 1 0.02607500 0.48147300 0.34047100 1.0 O O77 1 0.47392500 0.98147300 0.65952900 1.0 O O78 1 0.52607500 0.51852700 0.15952900 1.0 O O79 1 0.97392500 0.01852700 0.84047100 1.0 O O80 1 0.97392500 0.51852700 0.65952900 1.0 O O81 1 0.52607500 0.01852700 0.34047100 1.0 O O82 1 0.47392500 0.48147300 0.84047100 1.0 O O83 1 0.02607500 0.98147300 0.15952900 1.0 O O84 1 0.77727000 0.30273600 0.28048500 1.0 O O85 1 0.72273000 0.80273600 0.71951500 1.0 O O86 1 0.27727000 0.69726400 0.21951500 1.0 O O87 1 0.22273000 0.19726400 0.78048500 1.0 O O88 1 0.22273000 0.69726400 0.71951500 1.0 O O89 1 0.27727000 0.19726400 0.28048500 1.0 O O90 1 0.72273000 0.30273600 0.78048500 1.0 O O91 1 0.77727000 0.80273600 0.21951500 1.0 O O92 1 0.85866300 0.66184900 0.48534600 1.0 O O93 1 0.64133700 0.16184900 0.51465400 1.0 O O94 1 0.35866300 0.33815100 0.01465400 1.0 O O95 1 0.14133700 0.83815100 0.98534600 1.0 O O96 1 0.14133700 0.33815100 0.51465400 1.0 O O97 1 0.35866300 0.83815100 0.48534600 1.0 O O98 1 0.64133700 0.66184900 0.98534600 1.0 O O99 1 0.85866300 0.16184900 0.01465400 1.0