# generated using pymatgen data_Ge2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57050013 _cell_length_b 9.88160864 _cell_length_c 10.12488311 _cell_angle_alpha 85.17431627 _cell_angle_beta 65.05576844 _cell_angle_gamma 89.05660739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2S5 _chemical_formula_sum 'Ge8 S20' _cell_volume 774.56527129 _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 Ge Ge0 1 0.88774400 0.77735700 0.98142800 1.0 Ge Ge1 1 0.11225600 0.22264300 0.01857200 1.0 Ge Ge2 1 0.61933300 0.49774100 0.17959100 1.0 Ge Ge3 1 0.38066700 0.50225900 0.82040900 1.0 Ge Ge4 1 0.80970600 0.69449600 0.35291500 1.0 Ge Ge5 1 0.19029400 0.30550400 0.64708500 1.0 Ge Ge6 1 0.47876000 0.83067200 0.26419800 1.0 Ge Ge7 1 0.52124000 0.16932800 0.73580200 1.0 S S8 1 0.01591000 0.77995400 0.13616200 1.0 S S9 1 0.98409000 0.22004600 0.86383800 1.0 S S10 1 0.73319900 0.47869700 0.34468500 1.0 S S11 1 0.26680100 0.52130300 0.65531500 1.0 S S12 1 0.66937000 0.92408300 0.04352100 1.0 S S13 1 0.33063000 0.07591700 0.95647900 1.0 S S14 1 0.58049500 0.83005000 0.43713000 1.0 S S15 1 0.41950500 0.16995000 0.56287000 1.0 S S16 1 0.38123800 0.62396600 0.25072800 1.0 S S17 1 0.61876200 0.37603400 0.74927200 1.0 S S18 1 0.81171500 0.56899100 0.95217600 1.0 S S19 1 0.18828500 0.43100900 0.04782400 1.0 S S20 1 0.92075700 0.68993600 0.51299000 1.0 S S21 1 0.07924300 0.31006400 0.48701000 1.0 S S22 1 0.08648400 0.84798200 0.76472700 1.0 S S23 1 0.91351600 0.15201800 0.23527300 1.0 S S24 1 0.25167500 0.95948900 0.33852400 1.0 S S25 1 0.74832500 0.04051100 0.66147600 1.0 S S26 1 0.54167800 0.28977400 0.17062800 1.0 S S27 1 0.45832200 0.71022600 0.82937200 1.0