# generated using pymatgen data_GdPS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.25050625 _cell_length_b 12.25050625 _cell_length_c 12.25050469 _cell_angle_alpha 127.68713898 _cell_angle_beta 127.68715378 _cell_angle_gamma 77.13239854 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdPS4 _chemical_formula_sum 'Gd8 P8 S32' _cell_volume 1117.36744891 _cell_formula_units_Z 8 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 Gd Gd0 1 0.25000045 0.25000045 0.00000000 1.0 Gd Gd1 1 0.74999974 0.74999974 0.00000000 1.0 Gd Gd2 1 0.49999955 0.99999955 0.50000000 1.0 Gd Gd3 1 0.00000040 0.50000040 0.50000000 1.0 Gd Gd4 1 0.00000005 0.00000005 0.00000000 1.0 Gd Gd5 1 0.49999985 0.49999985 0.00000000 1.0 Gd Gd6 1 0.25000015 0.75000015 0.50000000 1.0 Gd Gd7 1 0.74999987 0.24999987 0.50000000 1.0 P P8 1 0.16262382 0.87500044 0.78762429 1.0 P P9 1 0.66262388 0.87500026 0.28762422 1.0 P P10 1 0.12499998 0.91262400 0.28762355 1.0 P P11 1 0.62499998 0.33737568 0.21237601 1.0 P P12 1 0.58737604 0.37499965 0.71237578 1.0 P P13 1 0.08737615 0.37499952 0.21237571 1.0 P P14 1 0.12499968 0.41262397 0.78762399 1.0 P P15 1 0.62500045 0.83737643 0.71237645 1.0 S S16 1 0.54035684 0.35350663 0.32025245 1.0 S S17 1 0.04035781 0.72010546 0.18685088 1.0 S S18 1 0.60350689 0.29035668 0.82025246 1.0 S S19 1 0.10350646 0.28325278 0.31314840 1.0 S S20 1 0.20964283 0.89649384 0.17974713 1.0 S S21 1 0.70964290 0.52989536 0.31315165 1.0 S S22 1 0.14649347 0.95964301 0.67974747 1.0 S S23 1 0.64649317 0.96674653 0.18685081 1.0 S S24 1 0.53325358 0.85350694 0.81314912 1.0 S S25 1 0.03325418 0.22010539 0.67974755 1.0 S S26 1 0.97010538 0.79035806 0.68685160 1.0 S S27 1 0.47010522 0.78325443 0.17974754 1.0 S S28 1 0.21674471 0.39649125 0.68684835 1.0 S S29 1 0.71674671 0.02989470 0.82025287 1.0 S S30 1 0.77989472 0.45964235 0.81314919 1.0 S S31 1 0.27989454 0.46674601 0.32025253 1.0 S S32 1 0.46208628 0.23520247 0.95322730 1.0 S S33 1 0.96208594 0.00885804 0.22688155 1.0 S S34 1 0.48520238 0.21208584 0.45322706 1.0 S S35 1 0.98520293 0.53197565 0.27311760 1.0 S S36 1 0.28791406 0.01479675 0.54677229 1.0 S S37 1 0.78791411 0.24114182 0.27311732 1.0 S S38 1 0.26479636 0.03791426 0.04677265 1.0 S S39 1 0.76479794 0.71802488 0.22688337 1.0 S S40 1 0.78197648 0.73520339 0.77311845 1.0 S S41 1 0.28197517 0.50885798 0.04677270 1.0 S S42 1 0.25885805 0.71208633 0.72688240 1.0 S S43 1 0.75885778 0.03197532 0.54677294 1.0 S S44 1 0.96802450 0.51479780 0.72688268 1.0 S S45 1 0.46802446 0.74114277 0.45322771 1.0 S S46 1 0.49114151 0.53791357 0.77311663 1.0 S S47 1 0.99114261 0.21802372 0.95322735 1.0