XRD 12 ID = 10079

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data_ECNU-16_as-made _chemical_name_mineral ECNU-16-as made _cell_length_a 17.82764 _cell_length_b 15.12191 _cell_length_c 10.66376 _cell_angle_alpha 90 _cell_angle_beta 108.5659 _cell_angle_gamma 90 _cell_volume 2725.209 _symmetry_space_group_name_H-M C12/m1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x, y, -z ' 'x, -y, z ' '-x, -y, -z ' 'x+1/2, y+1/2, z ' '-x+1/2, y+1/2, -z ' 'x+1/2, -y+1/2, z ' '-x+1/2, -y+1/2, -z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv T1 Si 8 0.3822004 0.1054097 0.2089614 0.223412 1.05312 T1 Ge 8 0.3822004 0.1054097 0.2089614 0.776588 1.05312 T2 Si 8 0.1300498 0.394705 0.0992525 0.4098228 1.05312 T2 Ge 8 0.1300498 0.394705 0.0992525 0.5901772 1.05312 T3 Si 8 0.3183859 0.3942604 0.1780381 0.4296196 1.05312 T3 Ge 8 0.3183859 0.3942604 0.1780381 0.5703804 1.05312 T4 Si 8 0.192022 0.1040179 0.1249142 0.7386936 1.05312 T4 Ge 8 0.192022 0.1040179 0.1249142 0.2613064 1.05312 T5 Si 8 0.4574592 0.2751634 0.3471828 0.9 1.05312 T5 Ge 8 0.4574592 0.2751634 0.3471828 0.1 1.05312 T6 Si 8 0.05779186 0.2251803 0.1531457 0.7206998 1.05312 T6 Ge 8 0.05779186 0.2251803 0.1531457 0.2793002 1.05312 O7 O 8 0.4410297 0.1693553 0.333076 1 1.263744 O8 O 8 0.3247422 0.3670845 0.0300602 1 1.263744 O9 O 8 0.1403838 0.1693543 0.1867457 1 1.263744 O10 O 8 0.2865308 0.1146033 0.2066991 1 1.263744 O11 O 8 0.07806405 0.3312178 0.1699984 1 1.263744 O12 O 8 0.3900304 0.1363861 0.06034235 1 1.263744 O13 O 8 0.2258275 0.3825724 0.1782169 1 1.263744 O14 O 8 0.3752395 0.3279284 0.2937868 1 1.263744 O15 O 8 0.01228005 0.1970489 0.2584878 1 1.263744 O16 O 4 0 0.199257 0.5 1 1.516493 O17 O 4 0.4126839 0 0.2388681 1 1.516493 O18 O 4 0.1646735 0 0.1325886 1 1.516493 O19 O 4 0.15309 0 0.7891148 1 1.516493 O20 O 4 0.6041088 0 0.107691 1 1.516493 O21 O 4 0 0.2042365 0 1 1.516493 F1 F 4 -0.22687 0.5 1 1 10 N1 N 8 1.292037 -0.1836374 -0.4918166 0.25 2.00146 C2 C 8 1.219197 -0.1552234 -0.5598575 0.25 2.00146 C3 C 8 1.220824 -0.06450174 -0.5648774 0.25 2.00146 N4 N 8 1.294655 -0.03745529 -0.4994658 0.25 2.00146 C5 C 8 1.337012 -0.1110666 -0.4562498 0.25 2.00146 C6 C 8 1.316773 -0.2748363 -0.4633826 0.25 2.00146 C7 C 8 1.323303 0.05323799 -0.4818854 0.25 2.00146 C8 C 8 1.24985 0.1184038 -0.5119373 0.25 2.00146 C9 C 8 1.274475 0.2177069 -0.5096122 0.25 2.00146 C10 C 8 1.213406 0.2804687 -0.4713486 0.25 2.00146 N11 N 8 1.239661 0.3752882 -0.4750178 0.25 2.00146 C12 C 8 1.20626 0.4524536 -0.4791197 0.25 2.00146 C13 C 8 1.260289 0.516351 -0.4827965 0.25 2.00146 N14 N 8 1.328208 0.4775475 -0.4814076 0.25 2.00146 C15 C 8 1.310594 0.4033027 -0.4774647 0.25 2.00146 C16 C 8 1.400159 0.5208045 -0.484672 0.25 2.00146 H17 H 8 1.168745 -0.1972462 -0.6028563 0.25 2.00146 H18 H 8 1.171833 -0.02159399 -0.6127388 0.25 2.00146 H19 H 8 1.399204 -0.1117456 -0.4006906 0.25 2.00146 H20 H 8 1.282254 -0.3060152 -0.4056762 0.25 2.00146 H21 H 8 1.306644 -0.3114375 -0.5570101 0.25 2.00146 H22 H 8 1.380355 -0.2782871 -0.4055939 0.25 2.00146 H23 H 8 1.367985 0.06114029 -0.3831041 0.25 2.00146 H24 H 8 1.359643 0.060513 -0.5481455 0.25 2.00146 H25 H 8 1.209677 0.1040471 -0.6127102 0.25 2.00146 H26 H 8 1.216228 0.1025072 -0.4437324 0.25 2.00146 H27 H 8 1.339943 0.2191508 -0.4729682 0.25 2.00146 H28 H 8 1.267462 0.2248403 -0.6160133 0.25 2.00146 H29 H 8 1.14644 0.463188 -0.4795663 0.25 2.00146 H30 H 8 1.251052 0.5868366 -0.4865586 0.25 2.00146 H31 H 8 1.358994 0.36027 -0.476408 0.25 2.00146 H32 H 8 1.414688 0.4991089 -0.5731612 0.25 2.00146 H33 H 8 1.392648 0.5934315 -0.4883189 0.25 2.00146 H34 H 8 1.449409 0.5032214 -0.3950091 0.25 2.00146 H35 H 8 1.152595 0.2677882 -0.537253 0.25 2.00146 H36 H 8 1.208915 0.2739765 -0.3705752 0.25 2.00146