XRD 12 ID = 20013

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data_SSZ-58_idealized_OSDA _space_group_crystal_system triclinic _space_group_IT_number 1 _space_group_name_H-M_alt 'P 1' _space_group_name_Hall ' P 1' _symmetry_space_group_name_H-M 'P 1' _symmetry_space_group_name_Hall ' P 1' _symmetry_Int_Tables_number 1 _cell_length_a 25.1484 _cell_length_b 12.51857 _cell_length_c 12.86784 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 4051.07919896 loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy N1a N 0.515820 -0.506700 0.911700 0.037995 Uiso 1.000000 C1a C 0.563750 -0.568000 0.941100 0.037995 Uiso 1.000000 C2a C 0.612690 -0.495000 0.928800 0.037995 Uiso 1.000000 C3a C 0.663360 -0.561600 0.942300 0.037995 Uiso 1.000000 C4a C 0.683400 -0.596700 0.834800 0.037995 Uiso 1.000000 C5a C 0.476080 -0.508300 0.997400 0.037995 Uiso 1.000000 C6a C 0.438550 -0.604400 0.983700 0.037995 Uiso 1.000000 C7a C 0.381420 -0.563600 0.968700 0.037995 Uiso 1.000000 C8a C 0.376700 -0.450000 1.014500 0.037995 Uiso 1.000000 C9a C 0.370550 -0.456400 1.133700 0.037995 Uiso 1.000000 C10a C 0.422800 -0.422500 1.186100 0.037995 Uiso 1.000000 C11a C 0.460750 -0.519500 1.193300 0.037995 Uiso 1.000000 C12a C 0.503710 -0.514100 1.105700 0.037995 Uiso 1.000000 C13a C 0.531800 -0.394900 0.887800 0.037995 Uiso 1.000000 C14a C 0.536200 -0.385400 0.768400 0.037995 Uiso 1.000000 C15a C 0.511000 -0.486400 0.722400 0.037995 Uiso 1.000000 C16a C 0.492200 -0.553900 0.816000 0.037995 Uiso 1.000000 N1b N -0.015820 -0.506700 0.911700 0.037995 Uiso 1.000000 C1b C -0.063750 -0.568000 0.941100 0.037995 Uiso 1.000000 C2b C -0.112690 -0.495000 0.928800 0.037995 Uiso 1.000000 C3b C -0.163360 -0.561600 0.942300 0.037995 Uiso 1.000000 C4b C -0.183400 -0.596700 0.834800 0.037995 Uiso 1.000000 C5b C 0.023920 -0.508300 0.997400 0.037995 Uiso 1.000000 C6b C 0.061450 -0.604400 0.983700 0.037995 Uiso 1.000000 C7b C 0.118580 -0.563600 0.968700 0.037995 Uiso 1.000000 C8b C 0.123300 -0.450000 1.014500 0.037995 Uiso 1.000000 C9b C 0.129450 -0.456400 1.133700 0.037995 Uiso 1.000000 C10b C 0.077200 -0.422500 1.186100 0.037995 Uiso 1.000000 C11b C 0.039250 -0.519500 1.193300 0.037995 Uiso 1.000000 C12b C -0.003710 -0.514100 1.105700 0.037995 Uiso 1.000000 C13b C -0.031800 -0.394900 0.887800 0.037995 Uiso 1.000000 C14b C -0.036200 -0.385400 0.768400 0.037995 Uiso 1.000000 C15b C -0.011000 -0.486400 0.722400 0.037995 Uiso 1.000000 C16b C 0.007800 -0.553900 0.816000 0.037995 Uiso 1.000000 Si1a Si 0.134320 0.190680 0.347100 0.014692 Uiso 1.000000 Si1b Si 0.634320 -0.190680 -0.347100 0.014692 Uiso 1.000000 Si1c Si -0.134320 0.190680 -0.347100 0.014692 Uiso 1.000000 Si1d Si 0.365680 -0.190680 0.347100 0.014692 Uiso 1.000000 Si1e Si -0.134320 -0.190680 -0.347100 0.014692 Uiso 1.000000 Si1f Si -0.634320 0.190680 0.347100 0.014692 Uiso 1.000000 Si1g Si 0.134320 -0.190680 0.347100 0.014692 Uiso 1.000000 Si1h Si -0.365680 0.190680 -0.347100 0.014692 Uiso 1.000000 Si2a Si 0.150440 0.122100 0.117840 0.014692 Uiso 0.917000 Si2b Si 0.650440 -0.122100 -0.117840 0.014692 Uiso 0.917000 Si2c Si -0.150440 0.122100 -0.117840 0.014692 Uiso 0.917000 Si2d Si 0.349560 -0.122100 0.117840 0.014692 Uiso 0.917000 Si2e Si -0.150440 -0.122100 -0.117840 0.014692 Uiso 0.917000 Si2f Si -0.650440 0.122100 0.117840 0.014692 Uiso 0.917000 Si2g Si 0.150440 -0.122100 0.117840 0.014692 Uiso 0.917000 Si2h Si -0.349560 0.122100 -0.117840 0.014692 Uiso 0.917000 Si2a B 0.150440 0.122100 0.117840 0.014692 Uiso 0.083000 Si2b B 0.650440 -0.122100 -0.117840 0.014692 Uiso 0.083000 Si2c B -0.150440 0.122100 -0.117840 0.014692 Uiso 0.083000 Si2d B 0.349560 -0.122100 0.117840 0.014692 Uiso 0.083000 Si2e B -0.150440 -0.122100 -0.117840 0.014692 Uiso 0.083000 Si2f B -0.650440 0.122100 0.117840 0.014692 Uiso 0.083000 Si2g B 0.150440 -0.122100 0.117840 0.014692 Uiso 0.083000 Si2h B -0.349560 0.122100 -0.117840 0.014692 Uiso 0.083000 Si3a Si 0.080390 0.194500 0.741190 0.014692 Uiso 1.000000 Si3b Si 0.580390 -0.194500 -0.741190 0.014692 Uiso 1.000000 Si3c Si -0.080390 0.194500 -0.741190 0.014692 Uiso 1.000000 Si3d Si 0.419610 -0.194500 0.741190 0.014692 Uiso 1.000000 Si3e Si -0.080390 -0.194500 -0.741190 0.014692 Uiso 1.000000 Si3f Si -0.580390 0.194500 0.741190 0.014692 Uiso 1.000000 Si3g Si 0.080390 -0.194500 0.741190 0.014692 Uiso 1.000000 Si3h Si -0.419610 0.194500 -0.741190 0.014692 Uiso 1.000000 Si4a Si 0.155560 0.376630 0.684610 0.014692 Uiso 1.000000 Si4b Si 0.655560 -0.376630 -0.684610 0.014692 Uiso 1.000000 Si4c Si -0.155560 0.376630 -0.684610 0.014692 Uiso 1.000000 Si4d Si 0.344440 -0.376630 0.684610 0.014692 Uiso 1.000000 Si4e Si -0.155560 -0.376630 -0.684610 0.014692 Uiso 1.000000 Si4f Si -0.655560 0.376630 0.684610 0.014692 Uiso 1.000000 Si4g Si 0.155560 -0.376630 0.684610 0.014692 Uiso 1.000000 Si4h Si -0.344440 0.376630 -0.684610 0.014692 Uiso 1.000000 Si5a Si 0.189550 0.000000 0.458800 0.014692 Uiso 1.000000 Si5b Si 0.689550 0.000000 -0.458800 0.014692 Uiso 1.000000 Si5c Si -0.189550 0.000000 -0.458800 0.014692 Uiso 1.000000 Si5d Si 0.310450 0.000000 0.458800 0.014692 Uiso 1.000000 Si6e Si 0.152670 0.000000 0.689100 0.014692 Uiso 1.000000 Si6f Si 0.652670 0.000000 -0.689100 0.014692 Uiso 1.000000 Si6g Si -0.152670 0.000000 -0.689100 0.014692 Uiso 1.000000 Si6h Si 0.347330 0.000000 0.689100 0.014692 Uiso 1.000000 Si7a Si 0.018230 0.124250 0.382210 0.014692 Uiso 0.906000 Si7b Si 0.518230 -0.124250 -0.382210 0.014692 Uiso 0.906000 Si7c Si -0.018230 0.124250 -0.382210 0.014692 Uiso 0.906000 Si7d Si 0.481770 -0.124250 0.382210 0.014692 Uiso 0.906000 Si7e Si -0.018230 -0.124250 -0.382210 0.014692 Uiso 0.906000 Si7f Si -0.518230 0.124250 0.382210 0.014692 Uiso 0.906000 Si7g Si 0.018230 -0.124250 0.382210 0.014692 Uiso 0.906000 Si7h Si -0.481770 0.124250 -0.382210 0.014692 Uiso 0.906000 Si7a B 0.018230 0.124250 0.382210 0.014692 Uiso 0.094000 Si7b B 0.518230 -0.124250 -0.382210 0.014692 Uiso 0.094000 Si7c B -0.018230 0.124250 -0.382210 0.014692 Uiso 0.094000 Si7d B 0.481770 -0.124250 0.382210 0.014692 Uiso 0.094000 Si7e B -0.018230 -0.124250 -0.382210 0.014692 Uiso 0.094000 Si7f B -0.518230 0.124250 0.382210 0.014692 Uiso 0.094000 Si7g B 0.018230 -0.124250 0.382210 0.014692 Uiso 0.094000 Si7h B -0.481770 0.124250 -0.382210 0.014692 Uiso 0.094000 Si8a Si 0.189380 0.374990 0.452910 0.014692 Uiso 0.942000 Si8b Si 0.689380 -0.374990 -0.452910 0.014692 Uiso 0.942000 Si8c Si -0.189380 0.374990 -0.452910 0.014692 Uiso 0.942000 Si8d Si 0.310620 -0.374990 0.452910 0.014692 Uiso 0.942000 Si8e Si -0.189380 -0.374990 -0.452910 0.014692 Uiso 0.942000 Si8f Si -0.689380 0.374990 0.452910 0.014692 Uiso 0.942000 Si8g Si 0.189380 -0.374990 0.452910 0.014692 Uiso 0.942000 Si8h Si -0.310620 0.374990 -0.452910 0.014692 Uiso 0.942000 Si8a B 0.189380 0.374990 0.452910 0.014692 Uiso 0.058000 Si8b B 0.689380 -0.374990 -0.452910 0.014692 Uiso 0.058000 Si8c B -0.189380 0.374990 -0.452910 0.014692 Uiso 0.058000 Si8d B 0.310620 -0.374990 0.452910 0.014692 Uiso 0.058000 Si8e B -0.189380 -0.374990 -0.452910 0.014692 Uiso 0.058000 Si8f B -0.689380 0.374990 0.452910 0.014692 Uiso 0.058000 Si8g B 0.189380 -0.374990 0.452910 0.014692 Uiso 0.058000 Si8h B -0.310620 0.374990 -0.452910 0.014692 Uiso 0.058000 Si9a Si 0.250000 0.192700 0.995500 0.014692 Uiso 1.000000 Si9b Si 0.750000 -0.192700 -0.995500 0.014692 Uiso 1.000000 Si9c Si -0.250000 0.192700 -0.995500 0.014692 Uiso 1.000000 Si9d Si 0.250000 -0.192700 0.995500 0.014692 Uiso 1.000000 Si10a Si 0.250000 0.000000 0.842400 0.014692 Uiso 1.000000 Si10b Si 0.750000 0.000000 -0.842400 0.014692 Uiso 1.000000 Si11a Si 0.058120 0.122500 0.962600 0.014692 Uiso 1.000000 Si11b Si 0.558120 -0.122500 -0.962600 0.014692 Uiso 1.000000 Si11c Si -0.058120 0.122500 -0.962600 0.014692 Uiso 1.000000 Si11d Si 0.441880 -0.122500 0.962600 0.014692 Uiso 1.000000 Si11e Si -0.058120 -0.122500 -0.962600 0.014692 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