# generated using pymatgen data_Cd4GeS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27927422 _cell_length_b 7.27927422 _cell_length_c 12.66627835 _cell_angle_alpha 72.61856586 _cell_angle_beta 72.61856586 _cell_angle_gamma 59.82021305 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd4GeS6 _chemical_formula_sum 'Cd8 Ge2 S12' _cell_volume 544.64085462 _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 Cd Cd0 1 0.26875000 0.67129900 0.29982500 1.0 Cd Cd1 1 0.67129900 0.26875000 0.79982500 1.0 Cd Cd2 1 0.75685800 0.91275000 0.14443800 1.0 Cd Cd3 1 0.91275000 0.75685800 0.64443800 1.0 Cd Cd4 1 0.54405100 0.76601800 0.95253100 1.0 Cd Cd5 1 0.76601800 0.54405100 0.45253100 1.0 Cd Cd6 1 0.07268900 0.28597000 0.14266400 1.0 Cd Cd7 1 0.28597000 0.07268900 0.64266400 1.0 Ge Ge8 1 0.13151800 0.67712200 0.89004800 1.0 Ge Ge9 1 0.67712200 0.13151800 0.39004800 1.0 S S10 1 0.70912000 0.24596300 0.20477000 1.0 S S11 1 0.24596300 0.70912000 0.70477000 1.0 S S12 1 0.56078200 0.01015600 0.75875200 1.0 S S13 1 0.01015600 0.56078200 0.25875200 1.0 S S14 1 0.99763800 0.95415800 0.44083400 1.0 S S15 1 0.95415800 0.99763800 0.94083400 1.0 S S16 1 0.95423300 0.48079900 0.94704500 1.0 S S17 1 0.48079900 0.95423300 0.44704500 1.0 S S18 1 0.43053600 0.47432400 0.96589000 1.0 S S19 1 0.47432400 0.43053600 0.46589000 1.0 S S20 1 0.40390100 0.91356400 0.13740200 1.0 S S21 1 0.91356400 0.40390100 0.63740200 1.0