# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.61301569
_cell_length_b   84.15784249
_cell_length_c   47.89944132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.75993280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1512
_cell_volume   139496.32107
_cell_formula_units_Z   1512
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
  P  P1  1  0.360057  0.954837  0.282254  1
  P  P2  1  0.086169  0.943600  0.379357  1
  P  P3  1  0.722359  0.950471  0.332465  1
  P  P4  1  0.722359  0.450471  0.332465  1
  P  P5  1  0.360057  0.454837  0.282254  1
  P  P6  1  0.086169  0.443600  0.379357  1
  P  P7  1  0.451800  0.966099  0.278361  1
  P  P8  1  0.180729  0.950277  0.375579  1
  P  P9  1  0.814330  0.957697  0.326667  1
  P  P10  1  0.814330  0.457697  0.326667  1
  P  P11  1  0.451800  0.466099  0.278361  1
  P  P12  1  0.180729  0.450277  0.375579  1
  P  P13  1  0.594924  0.635209  0.395636  1
  P  P14  1  0.225554  0.645291  0.343597  1
  P  P15  1  0.858461  0.669232  0.282351  1
  P  P16  1  0.858461  0.169232  0.282351  1
  P  P17  1  0.594924  0.135209  0.395636  1
  P  P18  1  0.225554  0.145291  0.343597  1
  P  P19  1  0.349325  0.735085  0.280069  1
  P  P20  1  0.076140  0.727996  0.379686  1
  P  P21  1  0.710229  0.729356  0.331062  1
  P  P22  1  0.710229  0.229356  0.331062  1
  P  P23  1  0.349325  0.235085  0.280069  1
  P  P24  1  0.076140  0.227996  0.379686  1
  P  P25  1  0.529002  0.733037  0.309156  1
  P  P26  1  0.263319  0.724900  0.402014  1
  P  P27  1  0.892509  0.728804  0.354898  1
  P  P28  1  0.892509  0.228804  0.354898  1
  P  P29  1  0.529002  0.233037  0.309156  1
  P  P30  1  0.263319  0.224900  0.402014  1
  P  P31  1  0.312731  0.948188  0.343681  1
  P  P32  1  0.948727  0.954209  0.295194  1
  P  P33  1  0.678512  0.942958  0.394190  1
  P  P34  1  0.678512  0.442958  0.394190  1
  P  P35  1  0.312731  0.448188  0.343681  1
  P  P36  1  0.948727  0.454209  0.295194  1
  P  P37  1  0.380650  0.762489  0.323487  1
  P  P38  1  0.013007  0.748843  0.257275  1
  P  P39  1  0.741993  0.755755  0.375310  1
  P  P40  1  0.741993  0.255755  0.375310  1
  P  P41  1  0.380650  0.262489  0.323487  1
  P  P42  1  0.013007  0.248843  0.257275  1
  P  P43  1  0.408737  0.638708  0.372024  1
  P  P44  1  0.040065  0.652209  0.314804  1
  P  P45  1  0.780379  0.632265  0.415004  1
  P  P46  1  0.780379  0.132265  0.415004  1
  P  P47  1  0.408737  0.138708  0.372024  1
  P  P48  1  0.040065  0.152209  0.314804  1
  P  P49  1  0.450120  0.758031  0.409437  1
  P  P50  1  0.076307  0.766498  0.362557  1
  P  P51  1  0.703646  0.763847  0.305886  1
  P  P52  1  0.703646  0.263847  0.305886  1
  P  P53  1  0.450120  0.258031  0.409437  1
  P  P54  1  0.076307  0.266498  0.362557  1
  P  P55  1  0.511970  0.767002  0.284422  1
  P  P56  1  0.170196  0.764743  0.375467  1
  P  P57  1  0.797888  0.765980  0.325556  1
  P  P58  1  0.797888  0.265980  0.325556  1
  P  P59  1  0.511970  0.267002  0.284422  1
  P  P60  1  0.170196  0.264743  0.375467  1
  P  P61  1  0.322287  0.735564  0.350628  1
  P  P62  1  0.951492  0.737705  0.304707  1
  P  P63  1  0.689543  0.727914  0.398540  1
  P  P64  1  0.689543  0.227914  0.398540  1
  P  P65  1  0.322287  0.235564  0.350628  1
  P  P66  1  0.951492  0.237705  0.304707  1
  P  P67  1  0.296565  0.513644  0.279269  1
  P  P68  1  0.013010  0.504986  0.376459  1
  P  P69  1  0.648762  0.508581  0.330172  1
  P  P70  1  0.648762  0.008581  0.330172  1
  P  P71  1  0.296565  0.013644  0.279269  1
  P  P72  1  0.013010  1.004986  0.376459  1
  P  P73  1  0.476317  0.897906  0.338717  1
  P  P74  1  0.112362  0.903067  0.293379  1
  P  P75  1  0.840832  0.889318  0.388911  1
  P  P76  1  0.840832  0.389318  0.388911  1
  P  P77  1  0.476317  0.397906  0.338717  1
  P  P78  1  0.112362  0.403067  0.293379  1
  P  P79  1  0.223550  0.535301  0.297675  1
  P  P80  1  0.955377  0.531709  0.406435  1
  P  P81  1  0.589872  0.535814  0.354331  1
  P  P82  1  0.589872  0.035814  0.354331  1
  P  P83  1  0.223550  0.035301  0.297675  1
  P  P84  1  0.955377  0.031709  0.406435  1
  P  P85  1  0.297114  0.898037  0.319140  1
  P  P86  1  0.032048  0.884678  0.415675  1
  P  P87  1  0.662865  0.893198  0.365822  1
  P  P88  1  0.662865  0.393198  0.365822  1
  P  P89  1  0.297114  0.398037  0.319140  1
  P  P90  1  0.032048  0.384678  0.415675  1
  P  P91  1  0.448495  0.791664  0.309937  1
  P  P92  1  0.115167  0.790265  0.407582  1
  P  P93  1  0.734511  0.791120  0.352131  1
  P  P94  1  0.734511  0.291120  0.352131  1
  P  P95  1  0.448495  0.291664  0.309937  1
  P  P96  1  0.115167  0.290265  0.407582  1
  P  P97  1  0.505915  0.730019  0.376223  1
  P  P98  1  0.134342  0.740045  0.329907  1
  P  P99  1  0.769077  0.739390  0.280734  1
  P  P100  1  0.769077  0.239390  0.280734  1
  P  P101  1  0.505915  0.230019  0.376223  1
  P  P102  1  0.134342  0.240045  0.329907  1
  P  P103  1  0.283013  0.674062  0.323112  1
  P  P104  1  0.018028  0.660341  0.418528  1
  P  P105  1  0.648987  0.663757  0.371417  1
  P  P106  1  0.648987  0.163757  0.371417  1
  P  P107  1  0.283013  0.174062  0.323112  1
  P  P108  1  0.018028  0.160341  0.418528  1
  P  P109  1  0.221842  0.958087  0.313836  1
  P  P110  1  0.955742  0.945487  0.412730  1
  P  P111  1  0.587624  0.952726  0.364248  1
  P  P112  1  0.587624  0.452726  0.364248  1
  P  P113  1  0.221842  0.458087  0.313836  1
  P  P114  1  0.955742  0.445487  0.412730  1
  P  P115  1  0.534645  0.483859  0.273291  1
  P  P116  1  0.253526  0.474997  0.372042  1
  P  P117  1  0.888036  0.481178  0.322776  1
  P  P118  1  0.888036  0.981178  0.322776  1
  P  P119  1  0.534645  0.983859  0.273291  1
  P  P120  1  0.253526  0.974997  0.372042  1
  P  P121  1  0.459385  0.931605  0.308676  1
  P  P122  1  0.197037  0.916065  0.408292  1
  P  P123  1  0.829388  0.923776  0.358971  1
  P  P124  1  0.829388  0.423776  0.358971  1
  P  P125  1  0.459385  0.431605  0.308676  1
  P  P126  1  0.197037  0.416065  0.408292  1
  P  P127  1  0.540016  0.949925  0.304276  1
  P  P128  1  0.268901  0.941285  0.404597  1
  P  P129  1  0.903273  0.947416  0.355155  1
  P  P130  1  0.903273  0.447416  0.355155  1
  P  P131  1  0.540016  0.449925  0.304276  1
  P  P132  1  0.268901  0.441285  0.404597  1
  P  P133  1  0.431947  0.679819  0.287459  1
  P  P134  1  0.171181  0.670749  0.377966  1
  P  P135  1  0.801204  0.672837  0.336022  1
  P  P136  1  0.801204  0.172837  0.336022  1
  P  P137  1  0.431947  0.179819  0.287459  1
  P  P138  1  0.171181  0.170749  0.377966  1
  P  P139  1  0.470669  0.760988  0.343229  1
  P  P140  1  0.104706  0.752010  0.269193  1
  P  P141  1  0.835599  0.755669  0.387395  1
  P  P142  1  0.835599  0.255669  0.387395  1
  P  P143  1  0.470669  0.260988  0.343229  1
  P  P144  1  0.104706  0.252010  0.269193  1
  P  P145  1  0.501252  0.636895  0.382921  1
  P  P146  1  0.132000  0.646693  0.333422  1
  P  P147  1  0.768527  0.660361  0.279272  1
  P  P148  1  0.768527  0.160361  0.279272  1
  P  P149  1  0.501252  0.136895  0.382921  1
  P  P150  1  0.132000  0.146693  0.333422  1
  P  P151  1  0.522805  0.676912  0.299724  1
  P  P152  1  0.263342  0.668764  0.389977  1
  P  P153  1  0.893185  0.672201  0.346058  1
  P  P154  1  0.893185  0.172201  0.346058  1
  P  P155  1  0.522805  0.176912  0.299724  1
  P  P156  1  0.263342  0.168764  0.389977  1
  P  P157  1  0.368419  0.532401  0.394685  1
  P  P158  1  1.000337  0.538573  0.346511  1
  P  P159  1  0.637226  0.537801  0.292808  1
  P  P160  1  0.637226  0.037801  0.292808  1
  P  P161  1  0.368419  0.032401  0.394685  1
  P  P162  1  1.000337  0.038573  0.346511  1
  P  P163  1  0.316470  0.642275  0.357451  1
  P  P164  1  0.950091  0.662925  0.295670  1
  P  P165  1  0.689700  0.633840  0.401352  1
  P  P166  1  0.689700  0.133840  0.401352  1
  P  P167  1  0.316470  0.142275  0.357451  1
  P  P168  1  0.950091  0.162925  0.295670  1
  P  P169  1  0.386140  0.489512  0.305797  1
  P  P170  1  0.123598  0.477046  0.405355  1
  P  P171  1  0.756427  0.484099  0.356834  1
  P  P172  1  0.756427  0.984099  0.356834  1
  P  P173  1  0.386140  0.989512  0.305797  1
  P  P174  1  0.123598  0.977046  0.405355  1
  P  P175  1  0.387387  0.525382  0.280310  1
  P  P176  1  0.107614  0.510491  0.373725  1
  P  P177  1  0.738663  0.517022  0.323604  1
  P  P178  1  0.738663  0.017022  0.323604  1
  P  P179  1  0.387387  0.025382  0.280310  1
  P  P180  1  0.107614  0.010491  0.373725  1
  P  P181  1  0.355522  0.722940  0.414070  1
  P  P182  1  0.983346  0.728325  0.367386  1
  P  P183  1  0.620046  0.732317  0.320034  1
  P  P184  1  0.620046  0.232317  0.320034  1
  P  P185  1  0.355522  0.222940  0.414070  1
  P  P186  1  0.983346  0.228325  0.367386  1
  P  P187  1  0.594826  0.691170  0.405193  1
  P  P188  1  0.225799  0.700461  0.356420  1
  P  P189  1  0.855962  0.703299  0.310739  1
  P  P190  1  0.855962  0.203299  0.310739  1
  P  P191  1  0.594826  0.191170  0.405193  1
  P  P192  1  0.225799  0.200461  0.356420  1
  P  P193  1  0.476297  0.542271  0.282982  1
  P  P194  1  0.181179  0.534598  0.364604  1
  P  P195  1  0.811347  0.538937  0.317410  1
  P  P196  1  0.811347  0.038937  0.317410  1
  P  P197  1  0.476297  0.042271  0.282982  1
  P  P198  1  0.181179  0.034598  0.364604  1
  P  P199  1  0.605438  0.918423  0.397026  1
  P  P200  1  0.240142  0.924152  0.347620  1
  P  P201  1  0.873065  0.931534  0.298425  1
  P  P202  1  0.873065  0.431534  0.298425  1
  P  P203  1  0.605438  0.418423  0.397026  1
  P  P204  1  0.240142  0.424152  0.347620  1
  P  P205  1  0.287638  0.758892  0.304174  1
  P  P206  1  0.019383  0.754933  0.411584  1
  P  P207  1  0.652671  0.760463  0.360754  1
  P  P208  1  0.652671  0.260463  0.360754  1
  P  P209  1  0.287638  0.258892  0.304174  1
  P  P210  1  0.019383  0.254933  0.411584  1
  P  P211  1  0.358619  0.760164  0.394826  1
  P  P212  1  0.983612  0.765846  0.347528  1
  P  P213  1  0.605554  0.768223  0.298584  1
  P  P214  1  0.605554  0.268223  0.298584  1
  P  P215  1  0.358619  0.260164  0.394826  1
  P  P216  1  0.983612  0.265846  0.347528  1
  P  P217  1  0.465325  0.668147  0.350191  1
  P  P218  1  0.102408  0.677907  0.298733  1
  P  P219  1  0.833822  0.661139  0.396202  1
  P  P220  1  0.833822  0.161139  0.396202  1
  P  P221  1  0.465325  0.168147  0.350191  1
  P  P222  1  0.102408  0.177907  0.298733  1
  P  P223  1  0.227139  0.738633  0.341492  1
  P  P224  1  0.860154  0.741092  0.292142  1
  P  P225  1  0.598658  0.728924  0.386661  1
  P  P226  1  0.598658  0.228924  0.386661  1
  P  P227  1  0.227139  0.238633  0.341492  1
  P  P228  1  0.860154  0.241092  0.292142  1
  P  P229  1  0.212359  0.494539  0.284328  1
  P  P230  1  0.939966  0.480157  0.381503  1
  P  P231  1  0.573565  0.486882  0.332735  1
  P  P232  1  0.573565  0.986882  0.332735  1
  P  P233  1  0.212359  0.994539  0.284328  1
  P  P234  1  0.939966  0.980157  0.381503  1
  P  P235  1  0.556752  0.917734  0.339302  1
  P  P236  1  0.190934  0.923657  0.291383  1
  P  P237  1  0.916707  0.912831  0.386475  1
  P  P238  1  0.916707  0.412831  0.386475  1
  P  P239  1  0.556752  0.417734  0.339302  1
  P  P240  1  0.190934  0.423657  0.291383  1
  P  P241  1  0.410346  0.695347  0.381377  1
  P  P242  1  0.039188  0.702321  0.334884  1
  P  P243  1  0.671765  0.704525  0.288162  1
  P  P244  1  0.671765  0.204525  0.288162  1
  P  P245  1  0.410346  0.195347  0.381377  1
  P  P246  1  0.039188  0.202321  0.334884  1
  P  P247  1  0.405589  0.956440  0.340254  1
  P  P248  1  0.042104  0.961909  0.291499  1
  P  P249  1  0.772624  0.949755  0.389430  1
  P  P250  1  0.772624  0.449755  0.389430  1
  P  P251  1  0.405589  0.456440  0.340254  1
  P  P252  1  0.042104  0.461909  0.291499  1
  P  P253  1  0.435556  0.643270  0.307681  1
  P  P254  1  0.063089  0.636382  0.378005  1
  P  P255  1  0.748743  0.639991  0.340633  1
  P  P256  1  0.748743  0.139991  0.340633  1
  P  P257  1  0.435556  0.143270  0.307681  1
  P  P258  1  0.063089  0.136382  0.378005  1
  P  P259  1  0.557477  0.665258  0.360421  1
  P  P260  1  0.191731  0.676145  0.311302  1
  P  P261  1  0.925606  0.660209  0.407296  1
  P  P262  1  0.925606  0.160209  0.407296  1
  P  P263  1  0.557477  0.165258  0.360421  1
  P  P264  1  0.191731  0.176145  0.311302  1
  P  P265  1  0.437701  0.471267  0.397468  1
  P  P266  1  0.072684  0.477485  0.347467  1
  P  P267  1  0.707364  0.482794  0.297787  1
  P  P268  1  0.707364  0.982794  0.297787  1
  P  P269  1  0.437701  0.971267  0.397468  1
  P  P270  1  0.072684  0.977485  0.347467  1
  P  P271  1  0.337787  0.516902  0.338162  1
  P  P272  1  0.969715  0.521787  0.291061  1
  P  P273  1  0.698340  0.510204  0.387404  1
  P  P274  1  0.698340  0.010204  0.387404  1
  P  P275  1  0.337787  0.016902  0.338162  1
  P  P276  1  0.969715  0.021787  0.291061  1
  P  P277  1  0.495963  0.943943  0.367425  1
  P  P278  1  0.129220  0.950093  0.317384  1
  P  P279  1  0.860281  0.940123  0.416278  1
  P  P280  1  0.860281  0.440123  0.416278  1
  P  P281  1  0.495963  0.443943  0.367425  1
  P  P282  1  0.129220  0.450093  0.317384  1
  P  P283  1  0.469806  0.705147  0.330473  1
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  P  P1432  1  0.790259  0.391420  0.568952  1
  P  P1433  1  0.526984  0.380452  0.668621  1
  P  P1434  1  0.159889  0.384868  0.619799  1
  P  P1435  1  0.480959  0.722390  0.668240  1
  P  P1436  1  0.115213  0.733277  0.619121  1
  P  P1437  1  0.747084  0.738327  0.572246  1
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  P  P1439  1  0.480959  0.222390  0.668240  1
  P  P1440  1  0.115213  0.233277  0.619121  1
  P  P1441  1  0.723963  0.444327  0.684348  1
  P  P1442  1  0.359959  0.450348  0.635862  1
  P  P1443  1  0.994179  0.455577  0.585353  1
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  P  P1446  1  0.359959  0.950348  0.635862  1
  P  P1447  1  0.659470  0.480287  0.596547  1
  P  P1448  1  0.389036  0.466349  0.692265  1
  P  P1449  1  0.024235  0.470137  0.642483  1
  P  P1450  1  0.024235  0.970137  0.642483  1
  P  P1451  1  0.659470  0.980287  0.596547  1
  P  P1452  1  0.389036  0.966349  0.692265  1
  P  P1453  1  0.567984  0.646525  0.710350  1
  P  P1454  1  0.202021  0.637547  0.636313  1
  P  P1455  1  0.837092  0.642866  0.592148  1
  P  P1456  1  0.837092  0.142866  0.592148  1
  P  P1457  1  0.567984  0.146525  0.710350  1
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  P  P1459  1  0.649135  0.700687  0.577710  1
  P  P1460  1  0.391299  0.685804  0.673184  1
  P  P1461  1  0.018430  0.697338  0.624580  1
  P  P1462  1  0.018430  0.197338  0.624580  1
  P  P1463  1  0.649135  0.200687  0.577710  1
  P  P1464  1  0.391299  0.185804  0.673184  1
  P  P1465  1  0.538348  0.658490  0.649635  1
  P  P1466  1  0.166775  0.668516  0.603319  1
  P  P1467  1  0.903613  0.659146  0.698808  1
  P  P1468  1  0.903613  0.159146  0.698808  1
  P  P1469  1  0.538348  0.158490  0.649635  1
  P  P1470  1  0.166775  0.168516  0.603319  1
  P  P1471  1  0.481756  0.474879  0.688160  1
  P  P1472  1  0.115938  0.480801  0.640240  1
  P  P1473  1  0.755983  0.485705  0.593068  1
  P  P1474  1  0.755983  0.985705  0.593068  1
  P  P1475  1  0.481756  0.974879  0.688160  1
  P  P1476  1  0.115938  0.980801  0.640240  1
  P  P1477  1  0.596551  0.670539  0.599856  1
  P  P1478  1  0.323366  0.663451  0.699473  1
  P  P1479  1  0.962461  0.669180  0.648481  1
  P  P1480  1  0.962461  0.169180  0.648481  1
  P  P1481  1  0.596551  0.170539  0.599856  1
  P  P1482  1  0.323366  0.163451  0.699473  1
  P  P1483  1  0.674435  0.445219  0.626971  1
  P  P1484  1  0.308935  0.450982  0.577918  1
  P  P1485  1  0.042796  0.436978  0.677994  1
  P  P1486  1  0.042796  0.936978  0.677994  1
  P  P1487  1  0.674435  0.945219  0.626971  1
  P  P1488  1  0.308935  0.950982  0.577918  1
  P  P1489  1  0.596383  0.632038  0.616985  1
  P  P1490  1  0.222570  0.640504  0.570106  1
  P  P1491  1  0.969044  0.634688  0.673657  1
  P  P1492  1  0.969044  0.134688  0.673657  1
  P  P1493  1  0.596383  0.132038  0.616985  1
  P  P1494  1  0.222570  0.140504  0.570106  1
  P  P1495  1  0.540690  0.751843  0.646121  1
  P  P1496  1  0.171439  0.761641  0.596622  1
  P  P1497  1  0.904163  0.738174  0.700271  1
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  P  P1501  1  0.447137  0.753244  0.635946  1
  P  P1502  1  0.077766  0.763327  0.583907  1
  P  P1503  1  0.814230  0.729304  0.697191  1
  P  P1504  1  0.814230  0.229304  0.697191  1
  P  P1505  1  0.447137  0.253244  0.635946  1
  P  P1506  1  0.077766  0.263327  0.583907  1
  P  P1507  1  0.633502  0.696214  0.644659  1
  P  P1508  1  0.262344  0.703189  0.598166  1
  P  P1509  1  1.000925  0.694010  0.691380  1
  P  P1510  1  1.000925  0.194010  0.691380  1
  P  P1511  1  0.633502  0.196214  0.644659  1
  P  P1512  1  0.262344  0.203189  0.598166  1
