data_image0 _chemical_formula_structural P16S28 _chemical_formula_sum "P16 S28" _cell_length_a 9.023939821522804 _cell_length_b 17.47574 _cell_length_c 6.776231229555335 _cell_angle_alpha 90.0 _cell_angle_beta 92.86124649720968 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 P P1 1.0 0.1489153938 0.7904529365000001 0.0301686144 1.0000 P P2 1.0 0.5037736401 0.8322794915 0.0879891574 1.0000 P P3 1.0 0.7797129985000001 0.12157653980000001 0.21340035099999996 1.0000 P P4 1.0 0.2277224361 0.9598019884000001 0.2262328519 1.0000 P P5 1.0 0.2722776947 0.4598014161000001 0.2737661878 1.0000 P P6 1.0 0.7202863892000001 0.6215771120000001 0.28659957449999995 1.0000 P P7 1.0 0.9962258022000001 0.3322794915 0.41201224569999995 1.0000 P P8 1.0 0.3510836833 0.29045293650000004 0.46983190179999995 1.0000 P P9 1.0 0.6489155246 0.7095470635 0.5301676541 1.0000 P P10 1.0 0.003773405699999995 0.6677205085 0.5879873101999998 1.0000 P P11 1.0 0.2797128732 0.3784234602 0.7134014589999998 1.0000 P P12 1.0 0.7277226759000001 0.5401980116000001 0.7262348468999998 1.0000 P P13 1.0 0.7722778255000001 0.0401980116 0.7737652276 1.0000 P P14 1.0 0.22028731760000003 0.878422888 0.7865992060999999 1.0000 P P15 1.0 0.4962267305 0.1677205085 0.9120118773 1.0000 P P16 1.0 0.8510838686 0.2095464913 0.9698324190999998 1.0000 S S1 1.0 0.8069248353 0.0136434852 0.0751543341 1.0000 S S2 1.0 0.3067741874 0.5431438096 0.09441556059999998 1.0000 S S3 1.0 0.3558443948 0.7418329639000001 0.13204385869999996 1.0000 S S4 1.0 0.7113190878000001 0.8057180983000001 0.13760479169999998 1.0000 S S5 1.0 0.5460742242 0.1371358237 0.2080786923 1.0000 S S6 1.0 0.0466844328 0.42443009570000007 0.22186055979999997 1.0000 S S7 1.0 0.4116636544000001 0.36496880820000005 0.23862085389999999 1.0000 S S8 1.0 0.0883364764 0.8649682360000001 0.2613781858 1.0000 S S9 1.0 0.4533157525 0.9244300957 0.2781399575 1.0000 S S10 1.0 0.9539252181 0.6371363959 0.2919227106999999 1.0000 S S11 1.0 0.7886814627 0.3057180983 0.3623966125 1.0000 S S12 1.0 0.1441546823 0.2418335361 0.3679566575 1.0000 S S13 1.0 0.19322483520000003 0.0431438096 0.40558347799999994 1.0000 S S14 1.0 0.6930745524 0.5136440574 0.42484559139999994 1.0000 S S15 1.0 0.3069258182 0.48635594260000004 0.5751554433 1.0000 S S16 1.0 0.8067744272 0.9568561904000001 0.5944175555 1.0000 S S17 1.0 0.8558445801 0.7581664639000001 0.6320443759999999 1.0000 S S18 1.0 0.21131885339999998 0.6942819017 0.6376029445999999 1.0000 S S19 1.0 0.04607404440000001 0.36286417630000006 0.7080783228 1.0000 S S20 1.0 0.5466846181 0.0755699043 0.7218610771999999 1.0000 S S21 1.0 0.9116627315000001 0.13503176400000003 0.7386213700999998 1.0000 S S22 1.0 0.5883366072000001 0.635031764 0.7613772255999999 1.0000 S S23 1.0 0.9533158833 0.5755699043000001 0.7781389971999999 1.0000 S S24 1.0 0.4539260919 0.8628636041 0.7919208646999999 1.0000 S S25 1.0 0.2886801746 0.1942813294 0.8623962417999999 1.0000 S S26 1.0 0.6441548676 0.2581664639 0.8679571748 1.0000 S S27 1.0 0.693224966 0.4568567626000001 0.9055825177 1.0000 S S28 1.0 0.1930754808 0.9863565148 0.9248452229999999 1.0000