# generated using pymatgen data_Sc2Cu2Ge4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87220500 _cell_length_b 4.98141900 _cell_length_c 12.43956707 _cell_angle_alpha 83.93631972 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Cu2Ge4O13 _chemical_formula_sum 'Sc4 Cu4 Ge8 O26' _cell_volume 546.70525973 _cell_formula_units_Z 2 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 Sc Sc0 1 0.06178200 0.04612900 0.62719100 1.0 Sc Sc1 1 0.56178200 0.95387100 0.37280900 1.0 Sc Sc2 1 0.93821800 0.95387100 0.37280900 1.0 Sc Sc3 1 0.43821800 0.04612900 0.62719100 1.0 Cu Cu4 1 0.99770900 0.04720000 0.87711600 1.0 Cu Cu5 1 0.49770900 0.95280000 0.12288400 1.0 Cu Cu6 1 0.00229100 0.95280000 0.12288400 1.0 Cu Cu7 1 0.50229100 0.04720000 0.87711600 1.0 Ge Ge8 1 0.75000000 0.39799800 0.51483800 1.0 Ge Ge9 1 0.25000000 0.60200200 0.48516200 1.0 Ge Ge10 1 0.75000000 0.60974300 0.99273500 1.0 Ge Ge11 1 0.25000000 0.39025700 0.00726500 1.0 Ge Ge12 1 0.75000000 0.67519400 0.75112300 1.0 Ge Ge13 1 0.25000000 0.32480600 0.24887700 1.0 Ge Ge14 1 0.75000000 0.50915900 0.23298100 1.0 Ge Ge15 1 0.25000000 0.49084100 0.76701900 1.0 O O16 1 0.41699700 0.19739700 0.00439900 1.0 O O17 1 0.91699700 0.80260300 0.99560100 1.0 O O18 1 0.58300300 0.80260300 0.99560100 1.0 O O19 1 0.08300300 0.19739700 0.00439900 1.0 O O20 1 0.75000000 0.70988900 0.43280600 1.0 O O21 1 0.25000000 0.29011100 0.56719400 1.0 O O22 1 0.41535300 0.12437700 0.25243300 1.0 O O23 1 0.91535300 0.87562300 0.74756700 1.0 O O24 1 0.58464700 0.87562300 0.74756700 1.0 O O25 1 0.08464700 0.12437700 0.25243300 1.0 O O26 1 0.41704800 0.79276800 0.49480200 1.0 O O27 1 0.91704800 0.20723200 0.50519800 1.0 O O28 1 0.58295200 0.20723200 0.50519800 1.0 O O29 1 0.08295200 0.79276800 0.49480200 1.0 O O30 1 0.75000000 0.44661200 0.87273000 1.0 O O31 1 0.25000000 0.55338800 0.12727000 1.0 O O32 1 0.25000000 0.78875700 0.67646500 1.0 O O33 1 0.75000000 0.21124300 0.32353500 1.0 O O34 1 0.25000000 0.54766200 0.34699900 1.0 O O35 1 0.75000000 0.45233800 0.65300100 1.0 O O36 1 0.25000000 0.63472300 0.89344100 1.0 O O37 1 0.75000000 0.36527700 0.10655900 1.0 O O38 1 0.08734400 0.28618500 0.75840600 1.0 O O39 1 0.58734400 0.71381500 0.24159400 1.0 O O40 1 0.91265600 0.71381500 0.24159400 1.0 O O41 1 0.41265600 0.28618500 0.75840600 1.0