# generated using pymatgen data_Cu2GeTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39513100 _cell_length_b 8.63699943 _cell_length_c 11.32938953 _cell_angle_alpha 112.38179630 _cell_angle_beta 90.21053462 _cell_angle_gamma 90.10830283 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2GeTe3 _chemical_formula_sum 'Cu8 Ge4 Te12' _cell_volume 669.10608255 _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 0.49676700 0.74680200 0.99493000 1.0 Cu Cu1 1 0.82678100 0.08331700 0.66652400 1.0 Cu Cu2 1 0.17438700 0.41885700 0.33721200 1.0 Cu Cu3 1 0.66222300 0.66651700 0.33760400 1.0 Cu Cu4 1 0.00152000 0.99683700 0.99567400 1.0 Cu Cu5 1 0.33561800 0.33770100 0.66645800 1.0 Cu Cu6 1 0.49912700 0.24854000 0.99796000 1.0 Cu Cu7 1 0.83237000 0.58397200 0.66663700 1.0 Ge Ge8 1 0.16579700 0.91716300 0.33450100 1.0 Ge Ge9 1 0.33922800 0.82554400 0.66805700 1.0 Ge Ge10 1 0.65953300 0.17647100 0.34072700 1.0 Ge Ge11 1 0.00045200 0.49780000 0.99189000 1.0 Te Te12 1 0.67958000 0.79105900 0.58398500 1.0 Te Te13 1 0.00606300 0.13544700 0.24243000 1.0 Te Te14 1 0.34661300 0.45528500 0.91423100 1.0 Te Te15 1 0.33608800 0.96304000 0.92347000 1.0 Te Te16 1 0.67017800 0.29904200 0.59561400 1.0 Te Te17 1 0.99231900 0.61316400 0.25558400 1.0 Te Te18 1 0.82746600 0.19995200 0.91376100 1.0 Te Te19 1 0.15797600 0.53500300 0.58186200 1.0 Te Te20 1 0.50949700 0.86042900 0.24019700 1.0 Te Te21 1 0.82494400 0.71328200 0.91287200 1.0 Te Te22 1 0.15949900 0.05639500 0.59415400 1.0 Te Te23 1 0.49597400 0.37838000 0.24366600 1.0