# generated using pymatgen data_Zr9S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.91430121 _cell_length_b 11.91430121 _cell_length_c 11.91430121 _cell_angle_alpha 131.47200326 _cell_angle_beta 131.47200326 _cell_angle_gamma 71.06422965 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9S2 _chemical_formula_sum 'Zr36 S8' _cell_volume 929.69014713 _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 Zr Zr0 1 0.57467200 0.42627200 0.14840000 1.0 Zr Zr1 1 0.17627200 0.52787300 0.35160000 1.0 Zr Zr2 1 0.17627200 0.82467200 0.64840000 1.0 Zr Zr3 1 0.17532800 0.82372800 0.35160000 1.0 Zr Zr4 1 0.47212700 0.82372800 0.64840000 1.0 Zr Zr5 1 0.57372800 0.72212700 0.14840000 1.0 Zr Zr6 1 0.57372800 0.42532800 0.85160000 1.0 Zr Zr7 1 0.27787300 0.42627200 0.85160000 1.0 Zr Zr8 1 0.52144800 0.69356600 0.82788200 1.0 Zr Zr9 1 0.44356600 0.11568500 0.67211800 1.0 Zr Zr10 1 0.44356600 0.77144800 0.32788200 1.0 Zr Zr11 1 0.22855200 0.55643400 0.67211800 1.0 Zr Zr12 1 0.88431500 0.55643400 0.32788200 1.0 Zr Zr13 1 0.30643400 0.13431500 0.82788200 1.0 Zr Zr14 1 0.30643400 0.47855200 0.17211800 1.0 Zr Zr15 1 0.86568500 0.69356600 0.17211800 1.0 Zr Zr16 1 0.98792800 0.26765000 0.72027800 1.0 Zr Zr17 1 0.01765000 0.79737200 0.77972200 1.0 Zr Zr18 1 0.01765000 0.23792800 0.22027800 1.0 Zr Zr19 1 0.76207200 0.98235000 0.77972200 1.0 Zr Zr20 1 0.20262800 0.98235000 0.22027800 1.0 Zr Zr21 1 0.73235000 0.45262800 0.72027800 1.0 Zr Zr22 1 0.73235000 0.01207200 0.27972200 1.0 Zr Zr23 1 0.54737200 0.26765000 0.27972200 1.0 Zr Zr24 1 0.13499400 0.13499400 0.00000000 1.0 Zr Zr25 1 0.88499400 0.38499400 0.50000000 1.0 Zr Zr26 1 0.61500600 0.11500600 0.50000000 1.0 Zr Zr27 1 0.86500600 0.86500600 0.00000000 1.0 Zr Zr28 1 0.37500000 0.30412800 0.42912800 1.0 Zr Zr29 1 0.05412800 0.12500000 0.42912800 1.0 Zr Zr30 1 0.69587200 0.62500000 0.57087200 1.0 Zr Zr31 1 0.87500000 0.94587200 0.57087200 1.0 Zr Zr32 1 0.37500000 0.94587200 0.07087200 1.0 Zr Zr33 1 0.69587200 0.12500000 0.07087200 1.0 Zr Zr34 1 0.05412800 0.62500000 0.92912800 1.0 Zr Zr35 1 0.87500000 0.30412800 0.92912800 1.0 S S36 1 0.02211700 0.52211700 0.04423500 1.0 S S37 1 0.27211700 0.72788300 0.00000000 1.0 S S38 1 0.72788300 0.27211700 0.00000000 1.0 S S39 1 0.47788300 0.97788300 0.95576500 1.0 S S40 1 0.72788300 0.72788300 0.45576500 1.0 S S41 1 0.47788300 0.52211700 0.50000000 1.0 S S42 1 0.02211700 0.97788300 0.50000000 1.0 S S43 1 0.27211700 0.27211700 0.54423500 1.0