data_image0 _chemical_formula_structural P4S6P4S6 _chemical_formula_sum "P8 S12" _cell_length_a 9.664971479158167 _cell_length_b 10.964514361170538 _cell_length_c 33.436422612013054 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 94.27208228084591 _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 0.8085970930801119 0.030899886526387435 0.5019849624693291 1.0000 P P2 1.0 0.5492555014745285 0.06178836165821089 0.5209833271380354 1.0000 P P3 1.0 0.6562546496819323 0.77556377835398 0.541437674719893 1.0000 P P4 1.0 0.05521107890399414 0.642725120861165 0.5295283196246822 1.0000 S S1 1.0 0.475754878290656 0.8799476809343945 0.5386739792410951 1.0000 S S2 1.0 0.8293648356692332 0.903964174142371 0.5511905374523683 1.0000 S S3 1.0 0.65904901386823 0.7271483401220362 0.4783836194322162 1.0000 S S4 1.0 0.015478269049967469 0.7058824032224369 0.4696691551672707 1.0000 S S5 1.0 0.8511100257783915 0.20769949022216228 0.526036147589566 1.0000 S S6 1.0 0.5082664248247922 0.09533219311628731 0.45936356763482344 1.0000 P P5 1.0 0.06126221733029036 0.2113782454418384 0.498013960501185 1.0000 P P6 1.0 0.3206016445747854 0.18048532119335622 0.47901561228160694 1.0000 P P7 1.0 0.2136059171217477 0.46671255438596215 0.4585609916442222 1.0000 P P8 1.0 0.8146539552935417 0.5995516004191962 0.47046994986683227 1.0000 S S7 1.0 0.3941028565989549 0.36232958963099654 0.46132548445712224 1.0000 S S8 1.0 0.04049250337098975 0.33831407188358065 0.44880850783984405 1.0000 S S9 1.0 0.2108122537677184 0.5151281444359322 0.5216160195239846 1.0000 S S10 1.0 0.8543836206789449 0.53639470673523 0.5303283738144026 1.0000 S S11 1.0 0.01874288875476913 0.03457815139857357 0.4739623683397955 1.0000 S S12 1.0 0.3615893550378727 0.14694713200815332 0.540635331110611 1.0000