XRD 12 ID = 20014
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data_SSZ-59_idealized_OSDA
_space_group_crystal_system triclinic
_space_group_IT_number 2
_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 2
_cell_length_a 15.00987
_cell_length_b 12.68314
_cell_length_c 14.7108
_cell_angle_alpha 103.2906
_cell_angle_beta 90.851
_cell_angle_gamma 100.6346
_cell_volume 2673.9005347
loop_
_space_group_symop_operation_xyz
'x,y,z'
'-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
C1 C 0.935933 -0.907400 -0.042540 0.037995 Uiso 1.000000
C2 C 1.028367 -0.864600 -0.038320 0.037995 Uiso 1.000000
C3 C 1.073900 -0.808800 0.048680 0.037995 Uiso 1.000000
C4 C 1.030633 -0.823600 0.130950 0.037995 Uiso 1.000000
C5 C 0.938333 -0.868700 0.126230 0.037995 Uiso 1.000000
C6 C 0.889167 -0.898200 0.039960 0.037995 Uiso 1.000000
C7 C 0.787833 -0.944570 0.032420 0.037995 Uiso 1.000000
C8 C 0.766500 -1.022610 -0.066360 0.037995 Uiso 1.000000
N9 N 0.670167 -1.048370 -0.089180 0.037995 Uiso 1.000000
C10 C 0.637100 -0.945250 -0.071600 0.037995 Uiso 1.000000
C11 C 0.651600 -1.103900 -0.186780 0.037995 Uiso 1.000000
C12 C 0.551767 -1.105450 -0.209240 0.037995 Uiso 1.000000
C13 C 0.493867 -1.170600 -0.148010 0.037995 Uiso 1.000000
C14 C 0.524167 -1.130800 -0.044350 0.037995 Uiso 1.000000
C15 C 0.626433 -1.120710 -0.032040 0.037995 Uiso 1.000000
C16 C 0.762333 -1.007580 0.109250 0.037995 Uiso 1.000000
C17 C 0.708467 -0.937440 0.179560 0.037995 Uiso 1.000000
C18 C 0.718733 -0.825650 0.152760 0.037995 Uiso 1.000000
C19 C 0.736267 -0.847610 0.048840 0.037995 Uiso 1.000000
Si1a Si 0.039467 0.101200 0.644520 0.011247 Uiso 1.000000
Si1b Si 0.372800 0.101200 0.644520 0.011247 Uiso 1.000000
Si1c Si 0.706133 0.101200 0.644520 0.011247 Uiso 1.000000
Si2a Si 0.219400 0.445270 0.303550 0.011247 Uiso 1.000000
Si2b Si 0.552733 0.445270 0.303550 0.011247 Uiso 1.000000
Si2c Si 0.886067 0.445270 0.303550 0.011247 Uiso 1.000000
Si3a Si 0.223367 0.218300 0.730870 0.011247 Uiso 1.000000
Si3b Si 0.556700 0.218300 0.730870 0.011247 Uiso 1.000000
Si3c Si 0.890033 0.218300 0.730870 0.011247 Uiso 1.000000
Si4a Si 0.233433 0.281280 0.424670 0.011247 Uiso 1.000000
Si4b Si 0.566767 0.281280 0.424670 0.011247 Uiso 1.000000
Si4c Si 0.900100 0.281280 0.424670 0.011247 Uiso 1.000000
Si5a Si 0.257267 0.416050 0.629070 0.011247 Uiso 1.000000
Si5b Si 0.590600 0.416050 0.629070 0.011247 Uiso 1.000000
Si5c Si 0.923933 0.416050 0.629070 0.011247 Uiso 1.000000
Si6a Si 0.219233 0.386930 0.905670 0.011247 Uiso 0.873000
Si6b Si 0.552567 0.386930 0.905670 0.011247 Uiso 0.873000
Si6c Si 0.885900 0.386930 0.905670 0.011247 Uiso 0.873000
Si6d Si 0.219233 0.386930 0.905670 0.011247 Uiso 0.127000
Si6e Si 0.552567 0.386930 0.905670 0.011247 Uiso 0.127000
Si6f Si 0.885900 0.386930 0.905670 0.011247 Uiso 0.127000
Si7a Si 0.260300 0.475390 0.108280 0.011247 Uiso 1.000000
Si7b Si 0.593633 0.475390 0.108280 0.011247 Uiso 1.000000
Si7c Si 0.926967 0.475390 0.108280 0.011247 Uiso 1.000000
Si8a Si 0.047067 0.145690 0.440960 0.011247 Uiso 0.936000
Si8b Si 0.380400 0.145690 0.440960 0.011247 Uiso 0.936000
Si8c Si 0.713733 0.145690 0.440960 0.011247 Uiso 0.936000
Si8d Si 0.047067 0.145690 0.440960 0.011247 Uiso 0.064000
Si8e Si 0.380400 0.145690 0.440960 0.011247 Uiso 0.064000
Si8f Si 0.713733 0.145690 0.440960 0.011247 Uiso 0.064000
O1a O 0.671667 0.027090 0.375260 0.020138 Uiso 1.000000
O1b O 0.005000 0.027090 0.375260 0.020138 Uiso 1.000000
O1c O 0.338333 0.027090 0.375260 0.020138 Uiso 1.000000
O2a O 0.141100 0.118930 0.688080 0.020138 Uiso 1.000000
O2b O 0.474433 0.118930 0.688080 0.020138 Uiso 1.000000
O2c O 0.807767 0.118930 0.688080 0.020138 Uiso 1.000000
O3a O 0.983167 0.172830 0.717860 0.020138 Uiso 1.000000
O3b O 0.316500 0.172830 0.717860 0.020138 Uiso 1.000000
O3c O 0.649833 0.172830 0.717860 0.020138 Uiso 1.000000
O4a O 0.039467 0.140200 0.548440 0.020138 Uiso 1.000000
O4b O 0.372800 0.140200 0.548440 0.020138 Uiso 1.000000
O4c O 0.706133 0.140200 0.548440 0.020138 Uiso 1.000000
O5a O 0.327833 0.238200 0.421010 0.020138 Uiso 1.000000
O5b O 0.661167 0.238200 0.421010 0.020138 Uiso 1.000000
O5c O 0.994500 0.238200 0.421010 0.020138 Uiso 1.000000
O6a O 0.818600 0.178850 0.420950 0.020138 Uiso 1.000000
O6b O 0.151933 0.178850 0.420950 0.020138 Uiso 1.000000
O6c O 0.485267 0.178850 0.420950 0.020138 Uiso 1.000000
O7a O 0.223067 0.334650 0.337610 0.020138 Uiso 1.000000
O7b O 0.556400 0.334650 0.337610 0.020138 Uiso 1.000000
O7c O 0.889733 0.334650 0.337610 0.020138 Uiso 1.000000
O8a O 0.124400 0.482160 0.328600 0.020138 Uiso 1.000000
O8b O 0.457733 0.482160 0.328600 0.020138 Uiso 1.000000
O8c O 0.791067 0.482160 0.328600 0.020138 Uiso 1.000000
O9a O 0.032100 0.456990 0.647000 0.020138 Uiso 1.000000
O9b O 0.365433 0.456990 0.647000 0.020138 Uiso 1.000000
O9c O 0.698767 0.456990 0.647000 0.020138 Uiso 1.000000
O10a O 0.226467 0.421090 0.192670 0.020138 Uiso 1.000000
O10b O 0.559800 0.421090 0.192670 0.020138 Uiso 1.000000
O10c O 0.893133 0.421090 0.192670 0.020138 Uiso 1.000000
O11a O 0.213333 0.264650 0.840290 0.020138 Uiso 1.000000
O11b O 0.546667 0.264650 0.840290 0.020138 Uiso 1.000000
O11c O 0.880000 0.264650 0.840290 0.020138 Uiso 1.000000
O12a O 0.224167 0.316050 0.677970 0.020138 Uiso 1.000000
O12b O 0.557500 0.316050 0.677970 0.020138 Uiso 1.000000
O12c O 0.890833 0.316050 0.677970 0.020138 Uiso 1.000000
O13a O 0.232233 0.374030 0.518830 0.020138 Uiso 1.000000
O13b O 0.565567 0.374030 0.518830 0.020138 Uiso 1.000000
O13c O 0.898900 0.374030 0.518830 0.020138 Uiso 1.000000
O14a O 0.239033 0.382860 0.012200 0.020138 Uiso 1.000000
O14b O 0.572367 0.382860 0.012200 0.020138 Uiso 1.000000
O14c O 0.905700 0.382860 0.012200 0.020138 Uiso 1.000000
O15a O 0.298767 0.474900 0.875870 0.020138 Uiso 1.000000
O15b O 0.632100 0.474900 0.875870 0.020138 Uiso 1.000000
O15c O 0.965433 0.474900 0.875870 0.020138 Uiso 1.000000
O16a O 0.790867 0.425260 0.895730 0.020138 Uiso 1.000000
O16b O 0.124200 0.425260 0.895730 0.020138 Uiso 1.000000
O16c O 0.457533 0.425260 0.895730 0.020138 Uiso 1.000000