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translated.cif
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translated.cif
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# generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 46.78000058
_cell_length_b 46.74285902
_cell_length_c 49.19024293
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C400
_cell_volume 107560.90872246
_cell_formula_units_Z 400
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '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
C C0 1 0.59384353 0.50000000 0.00000000 1
C C1 1 0.58757844 0.52949835 0.00000000 1
C C2 1 0.58000359 0.54262880 0.02500000 1
C C3 1 0.55761009 0.56280802 0.02500000 1
C C4 1 0.54377015 0.56897485 1.00000000 1
C C5 1 0.51380181 0.57212716 0.05000000 1
C C6 1 0.49898316 0.56897485 0.02500000 1
C C7 1 0.47288685 0.55389617 0.02500000 1
C C8 1 0.46274973 0.54262880 1.00000000 1
C C9 1 0.45049336 0.51507868 0.05000000 1
C C10 1 0.42753313 0.50000000 0.02500000 1
C C11 1 0.43379822 0.47050165 0.02500000 1
C C12 1 0.44137307 0.45737120 -0.00000000 1
C C13 1 0.46376656 0.43719198 0.05000000 1
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C C15 1 0.50757485 0.42787284 0.02500000 1
C C16 1 0.52239349 0.43102515 -0.00000000 1
C C17 1 0.54848980 0.44610383 0.05000000 1
C C18 1 0.55862693 0.45737120 0.02500000 1
C C19 1 0.57088330 0.48492132 0.02500000 1
C C20 1 0.57246687 0.50000000 0.05000000 1
C C21 1 0.56620178 0.52949835 0.05000000 1
C C22 1 0.55862693 0.54262880 0.07500000 1
C C23 1 0.53623344 0.56280802 0.07500000 1
C C24 1 0.52239349 0.56897485 0.05000000 1
C C25 1 0.49242515 0.57212716 0.10000000 1
C C26 1 0.47760651 0.56897485 0.07500000 1
C C27 1 0.45151020 0.55389617 0.07500000 1
C C28 1 0.44137307 0.54262880 0.05000000 1
C C29 1 0.42911670 0.51507868 0.10000000 1
C C30 1 0.42753313 0.50000000 0.07500000 1
C C31 1 0.43379822 0.47050165 0.07500000 1
C C32 1 0.44137307 0.45737120 0.05000000 1
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C C35 1 0.50757485 0.42787284 0.07500000 1
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C C37 1 0.54848980 0.44610383 0.10000000 1
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C C44 1 0.52239349 0.56897485 0.10000000 1
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C C47 1 0.45151020 0.55389617 0.12500000 1
C C48 1 0.44137307 0.54262880 0.10000000 1
C C49 1 0.42911670 0.51507868 0.15000000 1
C C50 1 0.42753313 0.50000000 0.12500000 1
C C51 1 0.43379822 0.47050165 0.12500000 1
C C52 1 0.44137307 0.45737120 0.10000000 1
C C53 1 0.46376656 0.43719198 0.15000000 1
C C54 1 0.47760651 0.43102515 0.12500000 1
C C55 1 0.50757485 0.42787284 0.12500000 1
C C56 1 0.52239349 0.43102515 0.10000000 1
C C57 1 0.54848980 0.44610383 0.15000000 1
C C58 1 0.55862693 0.45737120 0.12500000 1
C C59 1 0.57088330 0.48492132 0.12500000 1
C C60 1 0.57246687 0.50000000 0.15000000 1
C C61 1 0.56620178 0.52949835 0.15000000 1
C C62 1 0.55862693 0.54262880 0.17500000 1
C C63 1 0.53623344 0.56280802 0.17500000 1
C C64 1 0.52239349 0.56897485 0.15000000 1
C C65 1 0.49242515 0.57212716 0.20000000 1
C C66 1 0.47760651 0.56897485 0.17500000 1
C C67 1 0.45151020 0.55389617 0.17500000 1
C C68 1 0.44137307 0.54262880 0.15000000 1
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C C71 1 0.43379822 0.47050165 0.17500000 1
C C72 1 0.44137307 0.45737120 0.15000000 1
C C73 1 0.46376656 0.43719198 0.20000000 1
C C74 1 0.47760651 0.43102515 0.17500000 1
C C75 1 0.50757485 0.42787284 0.17500000 1
C C76 1 0.52239349 0.43102515 0.15000000 1
C C77 1 0.54848980 0.44610383 0.20000000 1
C C78 1 0.55862693 0.45737120 0.17500000 1
C C79 1 0.57088330 0.48492132 0.17500000 1
C C80 1 0.57246687 0.50000000 0.20000000 1
C C81 1 0.56620178 0.52949835 0.20000000 1
C C82 1 0.55862693 0.54262880 0.22500000 1
C C83 1 0.53623344 0.56280802 0.22500000 1
C C84 1 0.52239349 0.56897485 0.20000000 1
C C85 1 0.49242515 0.57212716 0.25000000 1
C C86 1 0.47760651 0.56897485 0.22500000 1
C C87 1 0.45151020 0.55389617 0.22500000 1
C C88 1 0.44137307 0.54262880 0.20000000 1
C C89 1 0.42911670 0.51507868 0.25000000 1
C C90 1 0.42753313 0.50000000 0.22500000 1
C C91 1 0.43379822 0.47050165 0.22500000 1
C C92 1 0.44137307 0.45737120 0.20000000 1
C C93 1 0.46376656 0.43719198 0.25000000 1
C C94 1 0.47760651 0.43102515 0.22500000 1
C C95 1 0.50757485 0.42787284 0.22500000 1
C C96 1 0.52239349 0.43102515 0.20000000 1
C C97 1 0.54848980 0.44610383 0.25000000 1
C C98 1 0.55862693 0.45737120 0.22500000 1
C C99 1 0.57088330 0.48492132 0.22500000 1
C C100 1 0.57246687 0.50000000 0.25000000 1
C C101 1 0.56620178 0.52949835 0.25000000 1
C C102 1 0.55862693 0.54262880 0.27500000 1
C C103 1 0.53623344 0.56280802 0.27500000 1
C C104 1 0.52239349 0.56897485 0.25000000 1
C C105 1 0.49242515 0.57212716 0.30000000 1
C C106 1 0.47760651 0.56897485 0.27500000 1
C C107 1 0.45151020 0.55389617 0.27500000 1
C C108 1 0.44137307 0.54262880 0.25000000 1
C C109 1 0.42911670 0.51507868 0.30000000 1
C C110 1 0.42753313 0.50000000 0.27500000 1
C C111 1 0.43379822 0.47050165 0.27500000 1
C C112 1 0.44137307 0.45737120 0.25000000 1
C C113 1 0.46376656 0.43719198 0.30000000 1
C C114 1 0.47760651 0.43102515 0.27500000 1
C C115 1 0.50757485 0.42787284 0.27500000 1
C C116 1 0.52239349 0.43102515 0.25000000 1
C C117 1 0.54848980 0.44610383 0.30000000 1
C C118 1 0.55862693 0.45737120 0.27500000 1
C C119 1 0.57088330 0.48492132 0.27500000 1
C C120 1 0.57246687 0.50000000 0.30000000 1
C C121 1 0.56620178 0.52949835 0.30000000 1
C C122 1 0.55862693 0.54262880 0.32500000 1
C C123 1 0.53623344 0.56280802 0.32500000 1
C C124 1 0.52239349 0.56897485 0.30000000 1
C C125 1 0.49242515 0.57212716 0.35000000 1
C C126 1 0.47760651 0.56897485 0.32500000 1
C C127 1 0.45151020 0.55389617 0.32500000 1
C C128 1 0.44137307 0.54262880 0.30000000 1
C C129 1 0.42911670 0.51507868 0.35000000 1
C C130 1 0.42753313 0.50000000 0.32500000 1
C C131 1 0.43379822 0.47050165 0.32500000 1
C C132 1 0.44137307 0.45737120 0.30000000 1
C C133 1 0.46376656 0.43719198 0.35000000 1
C C134 1 0.47760651 0.43102515 0.32500000 1
C C135 1 0.50757485 0.42787284 0.32500000 1
C C136 1 0.52239349 0.43102515 0.30000000 1
C C137 1 0.54848980 0.44610383 0.35000000 1
C C138 1 0.55862693 0.45737120 0.32500000 1
C C139 1 0.57088330 0.48492132 0.32500000 1
C C140 1 0.57246687 0.50000000 0.35000000 1
C C141 1 0.56620178 0.52949835 0.35000000 1
C C142 1 0.55862693 0.54262880 0.37500000 1
C C143 1 0.53623344 0.56280802 0.37500000 1
C C144 1 0.52239349 0.56897485 0.35000000 1
C C145 1 0.49242515 0.57212716 0.40000000 1
C C146 1 0.47760651 0.56897485 0.37500000 1
C C147 1 0.45151020 0.55389617 0.37500000 1
C C148 1 0.44137307 0.54262880 0.35000000 1
C C149 1 0.42911670 0.51507868 0.40000000 1
C C150 1 0.42753313 0.50000000 0.37500000 1
C C151 1 0.43379822 0.47050165 0.37500000 1
C C152 1 0.44137307 0.45737120 0.35000000 1
C C153 1 0.46376656 0.43719198 0.40000000 1
C C154 1 0.47760651 0.43102515 0.37500000 1
C C155 1 0.50757485 0.42787284 0.37500000 1
C C156 1 0.52239349 0.43102515 0.35000000 1
C C157 1 0.54848980 0.44610383 0.40000000 1
C C158 1 0.55862693 0.45737120 0.37500000 1
C C159 1 0.57088330 0.48492132 0.37500000 1
C C160 1 0.57246687 0.50000000 0.40000000 1
C C161 1 0.56620178 0.52949835 0.40000000 1
C C162 1 0.55862693 0.54262880 0.42500000 1
C C163 1 0.53623344 0.56280802 0.42500000 1
C C164 1 0.52239349 0.56897485 0.40000000 1
C C165 1 0.49242515 0.57212716 0.45000000 1
C C166 1 0.47760651 0.56897485 0.42500000 1
C C167 1 0.45151020 0.55389617 0.42500000 1
C C168 1 0.44137307 0.54262880 0.40000000 1
C C169 1 0.42911670 0.51507868 0.45000000 1
C C170 1 0.42753313 0.50000000 0.42500000 1
C C171 1 0.43379822 0.47050165 0.42500000 1
C C172 1 0.44137307 0.45737120 0.40000000 1
C C173 1 0.46376656 0.43719198 0.45000000 1
C C174 1 0.47760651 0.43102515 0.42500000 1
C C175 1 0.50757485 0.42787284 0.42500000 1
C C176 1 0.52239349 0.43102515 0.40000000 1
C C177 1 0.54848980 0.44610383 0.45000000 1
C C178 1 0.55862693 0.45737120 0.42500000 1
C C179 1 0.57088330 0.48492132 0.42500000 1
C C180 1 0.57246687 0.50000000 0.45000000 1
C C181 1 0.56620178 0.52949835 0.45000000 1
C C182 1 0.55862693 0.54262880 0.47500000 1
C C183 1 0.53623344 0.56280802 0.47500000 1
C C184 1 0.52239349 0.56897485 0.45000000 1
C C185 1 0.49242515 0.57212716 0.50000000 1
C C186 1 0.47760651 0.56897485 0.47500000 1
C C187 1 0.45151020 0.55389617 0.47500000 1
C C188 1 0.44137307 0.54262880 0.45000000 1
C C189 1 0.42911670 0.51507868 0.50000000 1
C C190 1 0.42753313 0.50000000 0.47500000 1
C C191 1 0.43379822 0.47050165 0.47500000 1
C C192 1 0.44137307 0.45737120 0.45000000 1
C C193 1 0.46376656 0.43719198 0.50000000 1
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C C195 1 0.50757485 0.42787284 0.47500000 1
C C196 1 0.52239349 0.43102515 0.45000000 1
C C197 1 0.54848980 0.44610383 0.50000000 1
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C C199 1 0.57088330 0.48492132 0.47500000 1
C C200 1 0.57246687 0.50000000 0.50000000 1
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C C206 1 0.47760651 0.56897485 0.52500000 1
C C207 1 0.45151020 0.55389617 0.52500000 1
C C208 1 0.44137307 0.54262880 0.50000000 1
C C209 1 0.42911670 0.51507868 0.55000000 1
C C210 1 0.42753313 0.50000000 0.52500000 1
C C211 1 0.43379822 0.47050165 0.52500000 1
C C212 1 0.44137307 0.45737120 0.50000000 1
C C213 1 0.46376656 0.43719198 0.55000000 1
C C214 1 0.47760651 0.43102515 0.52500000 1
C C215 1 0.50757485 0.42787284 0.52500000 1
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C C217 1 0.54848980 0.44610383 0.55000000 1
C C218 1 0.55862693 0.45737120 0.52500000 1
C C219 1 0.57088330 0.48492132 0.52500000 1
C C220 1 0.57246687 0.50000000 0.55000000 1
C C221 1 0.56620178 0.52949835 0.55000000 1
C C222 1 0.55862693 0.54262880 0.57500000 1
C C223 1 0.53623344 0.56280802 0.57500000 1
C C224 1 0.52239349 0.56897485 0.55000000 1
C C225 1 0.49242515 0.57212716 0.60000000 1
C C226 1 0.47760651 0.56897485 0.57500000 1
C C227 1 0.45151020 0.55389617 0.57500000 1
C C228 1 0.44137307 0.54262880 0.55000000 1
C C229 1 0.42911670 0.51507868 0.60000000 1
C C230 1 0.42753313 0.50000000 0.57500000 1
C C231 1 0.43379822 0.47050165 0.57500000 1
C C232 1 0.44137307 0.45737120 0.55000000 1
C C233 1 0.46376656 0.43719198 0.60000000 1
C C234 1 0.47760651 0.43102515 0.57500000 1
C C235 1 0.50757485 0.42787284 0.57500000 1
C C236 1 0.52239349 0.43102515 0.55000000 1
C C237 1 0.54848980 0.44610383 0.60000000 1
C C238 1 0.55862693 0.45737120 0.57500000 1
C C239 1 0.57088330 0.48492132 0.57500000 1
C C240 1 0.57246687 0.50000000 0.60000000 1
C C241 1 0.56620178 0.52949835 0.60000000 1
C C242 1 0.55862693 0.54262880 0.62500000 1
C C243 1 0.53623344 0.56280802 0.62500000 1
C C244 1 0.52239349 0.56897485 0.60000000 1
C C245 1 0.49242515 0.57212716 0.65000000 1
C C246 1 0.47760651 0.56897485 0.62500000 1
C C247 1 0.45151020 0.55389617 0.62500000 1
C C248 1 0.44137307 0.54262880 0.60000000 1
C C249 1 0.42911670 0.51507868 0.65000000 1
C C250 1 0.42753313 0.50000000 0.62500000 1
C C251 1 0.43379822 0.47050165 0.62500000 1
C C252 1 0.44137307 0.45737120 0.60000000 1
C C253 1 0.46376656 0.43719198 0.65000000 1
C C254 1 0.47760651 0.43102515 0.62500000 1
C C255 1 0.50757485 0.42787284 0.62500000 1
C C256 1 0.52239349 0.43102515 0.60000000 1
C C257 1 0.54848980 0.44610383 0.65000000 1
C C258 1 0.55862693 0.45737120 0.62500000 1
C C259 1 0.57088330 0.48492132 0.62500000 1
C C260 1 0.57246687 0.50000000 0.65000000 1
C C261 1 0.56620178 0.52949835 0.65000000 1
C C262 1 0.55862693 0.54262880 0.67500000 1
C C263 1 0.53623344 0.56280802 0.67500000 1
C C264 1 0.52239349 0.56897485 0.65000000 1
C C265 1 0.49242515 0.57212716 0.70000000 1
C C266 1 0.47760651 0.56897485 0.67500000 1
C C267 1 0.45151020 0.55389617 0.67500000 1
C C268 1 0.44137307 0.54262880 0.65000000 1
C C269 1 0.42911670 0.51507868 0.70000000 1
C C270 1 0.42753313 0.50000000 0.67500000 1
C C271 1 0.43379822 0.47050165 0.67500000 1
C C272 1 0.44137307 0.45737120 0.65000000 1
C C273 1 0.46376656 0.43719198 0.70000000 1
C C274 1 0.47760651 0.43102515 0.67500000 1
C C275 1 0.50757485 0.42787284 0.67500000 1
C C276 1 0.52239349 0.43102515 0.65000000 1
C C277 1 0.54848980 0.44610383 0.70000000 1
C C278 1 0.55862693 0.45737120 0.67500000 1
C C279 1 0.57088330 0.48492132 0.67500000 1
C C280 1 0.57246687 0.50000000 0.70000000 1
C C281 1 0.56620178 0.52949835 0.70000000 1
C C282 1 0.55862693 0.54262880 0.72500000 1
C C283 1 0.53623344 0.56280802 0.72500000 1
C C284 1 0.52239349 0.56897485 0.70000000 1
C C285 1 0.49242515 0.57212716 0.75000000 1
C C286 1 0.47760651 0.56897485 0.72500000 1
C C287 1 0.45151020 0.55389617 0.72500000 1
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C C289 1 0.42911670 0.51507868 0.75000000 1
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C C291 1 0.43379822 0.47050165 0.72500000 1
C C292 1 0.44137307 0.45737120 0.70000000 1
C C293 1 0.46376656 0.43719198 0.75000000 1
C C294 1 0.47760651 0.43102515 0.72500000 1
C C295 1 0.50757485 0.42787284 0.72500000 1
C C296 1 0.52239349 0.43102515 0.70000000 1
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C C298 1 0.55862693 0.45737120 0.72500000 1
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