# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.58840337
_cell_length_b   23.97981176
_cell_length_c   50.09309276
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.07555040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P672
_cell_volume   41395.018187
_cell_formula_units_Z   672
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  0.704984  0.641901  0.263549  1
  P  P2  1  0.371651  0.641901  0.263549  1
  P  P3  1  0.525864  0.614661  0.292996  1
  P  P4  1  0.038317  0.641901  0.263549  1
  P  P5  1  0.192531  0.614661  0.292996  1
  P  P6  1  0.528494  1.113336  0.292938  1
  P  P7  1  0.682249  1.091608  0.322172  1
  P  P8  1  0.859198  0.614661  0.292996  1
  P  P9  1  0.195160  1.113336  0.292938  1
  P  P10  1  0.348916  1.091608  0.322172  1
  P  P11  1  0.861827  1.113336  0.292938  1
  P  P12  1  0.015583  1.091608  0.322172  1
  P  P13  1  0.725047  0.992511  0.283047  1
  P  P14  1  0.391714  0.992511  0.283047  1
  P  P15  1  0.545757  0.973280  0.312554  1
  P  P16  1  0.058381  0.992511  0.283047  1
  P  P17  1  0.212423  0.973280  0.312554  1
  P  P18  1  0.586367  0.495808  0.288532  1
  P  P19  1  0.740706  0.469770  0.317893  1
  P  P20  1  0.879090  0.973280  0.312554  1
  P  P21  1  0.253034  0.495808  0.288532  1
  P  P22  1  0.407372  0.469770  0.317893  1
  P  P23  1  0.919701  0.495808  0.288532  1
  P  P24  1  0.074039  0.469770  0.317893  1
  P  P25  1  0.784163  0.874399  0.278165  1
  P  P26  1  0.450830  0.874399  0.278165  1
  P  P27  1  0.604002  0.852041  0.307858  1
  P  P28  1  0.117496  0.874399  0.278165  1
  P  P29  1  0.270668  0.852041  0.307858  1
  P  P30  1  0.649085  0.378764  0.284755  1
  P  P31  1  0.802223  0.349017  0.313536  1
  P  P32  1  0.937335  0.852041  0.307858  1
  P  P33  1  0.315752  0.378764  0.284755  1
  P  P34  1  0.468889  0.349017  0.313536  1
  P  P35  1  0.982419  0.378764  0.284755  1
  P  P36  1  0.135556  0.349017  0.313536  1
  P  P37  1  0.800718  0.734512  0.297552  1
  P  P38  1  0.467384  0.734512  0.297552  1
  P  P39  1  0.646357  0.756368  0.267935  1
  P  P40  1  0.134051  0.734512  0.297552  1
  P  P41  1  0.313023  0.756368  0.267935  1
  P  P42  1  0.669239  0.232743  0.304767  1
  P  P43  1  0.848449  0.252515  0.275875  1
  P  P44  1  0.979690  0.756368  0.267935  1
  P  P45  1  0.335905  0.232743  0.304767  1
  P  P46  1  0.515116  0.252515  0.275875  1
  P  P47  1  0.002572  0.232743  0.304767  1
  P  P48  1  0.181783  0.252515  0.275875  1
  P  P49  1  0.693527  0.863713  0.292810  1
  P  P50  1  0.360194  0.863713  0.292810  1
  P  P51  1  0.515400  0.840818  0.323322  1
  P  P52  1  0.026860  0.863713  0.292810  1
  P  P53  1  0.182067  0.840818  0.323322  1
  P  P54  1  0.557824  0.364299  0.298903  1
  P  P55  1  0.713741  0.338269  0.329378  1
  P  P56  1  0.848733  0.840818  0.323322  1
  P  P57  1  0.224491  0.364299  0.298903  1
  P  P58  1  0.380407  0.338269  0.329378  1
  P  P59  1  0.891157  0.364299  0.298903  1
  P  P60  1  0.047074  0.338269  0.329378  1
  P  P61  1  0.736243  0.769406  0.254040  1
  P  P62  1  0.402909  0.769406  0.254040  1
  P  P63  1  0.556613  0.744659  0.282812  1
  P  P64  1  0.069576  0.769406  0.254040  1
  P  P65  1  0.223280  0.744659  0.282812  1
  P  P66  1  0.604552  0.273694  0.262327  1
  P  P67  1  0.758891  0.239484  0.290312  1
  P  P68  1  0.889946  0.744659  0.282812  1
  P  P69  1  0.271219  0.273694  0.262327  1
  P  P70  1  0.425558  0.239484  0.290312  1
  P  P71  1  0.937885  0.273694  0.262327  1
  P  P72  1  0.092224  0.239484  0.290312  1
  P  P73  1  0.769909  0.602004  0.307520  1
  P  P74  1  0.436575  0.602004  0.307520  1
  P  P75  1  0.615292  0.627408  0.278001  1
  P  P76  1  0.103242  0.602004  0.307520  1
  P  P77  1  0.281959  0.627408  0.278001  1
  P  P78  1  0.593633  1.079470  0.337947  1
  P  P79  1  0.771790  1.102109  0.307316  1
  P  P80  1  0.948625  0.627408  0.278001  1
  P  P81  1  0.260300  1.079470  0.337947  1
  P  P82  1  0.438456  1.102109  0.307316  1
  P  P83  1  0.926966  1.079470  0.337947  1
  P  P84  1  0.105123  1.102109  0.307316  1
  P  P85  1  0.814421  1.005941  0.269142  1
  P  P86  1  0.481088  1.005941  0.269142  1
  P  P87  1  0.635158  0.982552  0.297859  1
  P  P88  1  0.147755  1.005941  0.269142  1
  P  P89  1  0.301824  0.982552  0.297859  1
  P  P90  1  0.675462  0.512154  0.274246  1
  P  P91  1  0.830083  0.482931  0.303383  1
  P  P92  1  0.968491  0.982552  0.297859  1
  P  P93  1  0.342129  0.512154  0.274246  1
  P  P94  1  0.496749  0.482931  0.303383  1
  P  P95  1  0.008795  0.512154  0.274246  1
  P  P96  1  0.163416  0.482931  0.303383  1
  P  P97  1  0.681154  0.594741  0.323768  1
  P  P98  1  0.347821  0.594741  0.323768  1
  P  P99  1  0.502846  0.569260  0.353163  1
  P  P100  1  0.014488  0.594741  0.323768  1
  P  P101  1  0.169513  0.569260  0.353163  1
  P  P102  1  0.504017  1.068905  0.352752  1
  P  P103  1  0.658499  1.047573  0.383475  1
  P  P104  1  0.836179  0.569260  0.353163  1
  P  P105  1  0.170683  1.068905  0.352752  1
  P  P106  1  0.325166  1.047573  0.383475  1
  P  P107  1  0.837350  1.068905  0.352752  1
  P  P108  1  0.991833  1.047573  0.383475  1
  P  P109  1  0.700043  0.952279  0.342875  1
  P  P110  1  0.366710  0.952279  0.342875  1
  P  P111  1  0.521526  0.929402  0.373150  1
  P  P112  1  0.033376  0.952279  0.342875  1
  P  P113  1  0.188192  0.929402  0.373150  1
  P  P114  1  0.562842  0.448921  0.348788  1
  P  P115  1  0.717943  0.425577  0.379295  1
  P  P116  1  0.854859  0.929402  0.373150  1
  P  P117  1  0.229509  0.448921  0.348788  1
  P  P118  1  0.384609  0.425577  0.379295  1
  P  P119  1  0.896175  0.448921  0.348788  1
  P  P120  1  0.051276  0.425577  0.379295  1
  P  P121  1  0.759310  0.830602  0.338044  1
  P  P122  1  0.425976  0.830602  0.338044  1
  P  P123  1  0.580433  0.808439  0.368970  1
  P  P124  1  0.092643  0.830602  0.338044  1
  P  P125  1  0.247099  0.808439  0.368970  1
  P  P126  1  0.623966  0.327366  0.343415  1
  P  P127  1  0.779015  0.303488  0.374491  1
  P  P128  1  0.913766  0.808439  0.368970  1
  P  P129  1  0.290632  0.327366  0.343415  1
  P  P130  1  0.445682  0.303488  0.374491  1
  P  P131  1  0.957299  0.327366  0.343415  1
  P  P132  1  0.112349  0.303488  0.374491  1
  P  P133  1  0.777192  0.689742  0.357855  1
  P  P134  1  0.443859  0.689742  0.357855  1
  P  P135  1  0.622107  0.714552  0.327948  1
  P  P136  1  0.110525  0.689742  0.357855  1
  P  P137  1  0.288774  0.714552  0.327948  1
  P  P138  1  0.643101  0.185783  0.364596  1
  P  P139  1  0.822595  0.206971  0.334594  1
  P  P140  1  0.955441  0.714552  0.327948  1
  P  P141  1  0.309768  0.185783  0.364596  1
  P  P142  1  0.489261  0.206971  0.334594  1
  P  P143  1  0.976434  0.185783  0.364596  1
  P  P144  1  0.155928  0.206971  0.334594  1
  P  P145  1  0.669584  0.820612  0.353668  1
  P  P146  1  0.336251  0.820612  0.353668  1
  P  P147  1  0.491128  0.796489  0.383907  1
  P  P148  1  0.002918  0.820612  0.353668  1
  P  P149  1  0.157794  0.796489  0.383907  1
  P  P150  1  0.534947  0.314481  0.358668  1
  P  P151  1  0.689305  0.292789  0.389667  1
  P  P152  1  0.824461  0.796489  0.383907  1
  P  P153  1  0.201614  0.314481  0.358668  1
  P  P154  1  0.355972  0.292789  0.389667  1
  P  P155  1  0.868281  0.314481  0.358668  1
  P  P156  1  0.022638  0.292789  0.389667  1
  P  P157  1  0.711468  0.725976  0.313364  1
  P  P158  1  0.378134  0.725976  0.313364  1
  P  P159  1  0.532986  0.702114  0.342849  1
  P  P160  1  0.044801  0.725976  0.313364  1
  P  P161  1  0.199653  0.702114  0.342849  1
  P  P162  1  0.579572  0.217520  0.319037  1
  P  P163  1  0.732625  0.196401  0.349668  1
  P  P164  1  0.866319  0.702114  0.342849  1
  P  P165  1  0.246239  0.217520  0.319037  1
  P  P166  1  0.399292  0.196401  0.349668  1
  P  P167  1  0.912905  0.217520  0.319037  1
  P  P168  1  0.065959  0.196401  0.349668  1
  P  P169  1  0.747130  0.557105  0.368264  1
  P  P170  1  0.413796  0.557105  0.368264  1
  P  P171  1  0.591997  0.581974  0.338305  1
  P  P172  1  0.080463  0.557105  0.368264  1
  P  P173  1  0.258663  0.581974  0.338305  1
  P  P174  1  0.569113  1.035981  0.398716  1
  P  P175  1  0.747642  1.058646  0.368043  1
  P  P176  1  0.925330  0.581974  0.338305  1
  P  P177  1  0.235780  1.035981  0.398716  1
  P  P178  1  0.414308  1.058646  0.368043  1
  P  P179  1  0.902447  1.035981  0.398716  1
  P  P180  1  0.080975  1.058646  0.368043  1
  P  P181  1  0.789638  0.962625  0.327981  1
  P  P182  1  0.456304  0.962625  0.327981  1
  P  P183  1  0.610684  0.940702  0.357882  1
  P  P184  1  0.122971  0.962625  0.327981  1
  P  P185  1  0.277350  0.940702  0.357882  1
  P  P186  1  0.652012  0.462239  0.334255  1
  P  P187  1  0.806955  0.435869  0.363381  1
  P  P188  1  0.944017  0.940702  0.357882  1
  P  P189  1  0.318678  0.462239  0.334255  1
  P  P190  1  0.473621  0.435869  0.363381  1
  P  P191  1  0.985345  0.462239  0.334255  1
  P  P192  1  0.140288  0.435869  0.363381  1
  P  P193  1  0.657984  0.547950  0.384368  1
  P  P194  1  0.324651  0.547950  0.384368  1
  P  P195  1  0.479672  0.523503  0.413894  1
  P  P196  1  0.991318  0.547950  0.384368  1
  P  P197  1  0.146339  0.523503  0.413894  1
  P  P198  1  0.479694  1.024771  0.413711  1
  P  P199  1  0.634214  1.002970  0.444343  1
  P  P200  1  0.813005  0.523503  0.413894  1
  P  P201  1  0.146361  1.024771  0.413711  1
  P  P202  1  0.300881  1.002970  0.444343  1
  P  P203  1  0.813027  1.024771  0.413711  1
  P  P204  1  0.967547  1.002970  0.444343  1
  P  P205  1  0.676003  0.907915  0.403644  1
  P  P206  1  0.342669  0.907915  0.403644  1
  P  P207  1  0.497384  0.884801  0.433745  1
  P  P208  1  0.009336  0.907915  0.403644  1
  P  P209  1  0.164050  0.884801  0.433745  1
  P  P210  1  0.539304  0.402274  0.409322  1
  P  P211  1  0.694254  0.380338  0.440114  1
  P  P212  1  0.830717  0.884801  0.433745  1
  P  P213  1  0.205970  0.402274  0.409322  1
  P  P214  1  0.360921  0.380338  0.440114  1
  P  P215  1  0.872637  0.402274  0.409322  1
  P  P216  1  0.027588  0.380338  0.440114  1
  P  P217  1  0.735342  0.785559  0.398886  1
  P  P218  1  0.402009  0.785559  0.398886  1
  P  P219  1  0.556623  0.763304  0.429560  1
  P  P220  1  0.068676  0.785559  0.398886  1
  P  P221  1  0.223290  0.763304  0.429560  1
  P  P222  1  0.600008  0.281490  0.404765  1
  P  P223  1  0.754630  0.258984  0.435511  1
  P  P224  1  0.889957  0.763304  0.429560  1
  P  P225  1  0.266675  0.281490  0.404765  1
  P  P226  1  0.421297  0.258984  0.435511  1
  P  P227  1  0.933341  0.281490  0.404765  1
  P  P228  1  0.087963  0.258984  0.435511  1
  P  P229  1  0.753649  0.645059  0.418595  1
  P  P230  1  0.420316  0.645059  0.418595  1
  P  P231  1  0.598690  0.668958  0.388577  1
  P  P232  1  0.086983  0.645059  0.418595  1
  P  P233  1  0.265357  0.668958  0.388577  1
  P  P234  1  0.617913  1.141712  0.425301  1
  P  P235  1  0.797173  0.163230  0.394995  1
  P  P236  1  0.932024  0.668958  0.388577  1
  P  P237  1  0.284579  1.141712  0.425301  1
  P  P238  1  0.463840  0.163230  0.394995  1
  P  P239  1  0.951246  1.141712  0.425301  1
  P  P240  1  0.130506  0.163230  0.394995  1
  P  P241  1  0.645943  0.775204  0.414459  1
  P  P242  1  0.312610  0.775204  0.414459  1
  P  P243  1  0.467425  0.751486  0.444523  1
  P  P244  1  0.979277  0.775204  0.414459  1
  P  P245  1  0.134092  0.751486  0.444523  1
  P  P246  1  0.510783  0.269944  0.420156  1
  P  P247  1  0.665143  0.247983  0.450703  1
  P  P248  1  0.800758  0.751486  0.444523  1
  P  P249  1  0.177450  0.269944  0.420156  1
  P  P250  1  0.331810  0.247983  0.450703  1
  P  P251  1  0.844116  0.269944  0.420156  1
  P  P252  1  0.998476  0.247983  0.450703  1
  P  P253  1  0.687871  0.680559  0.373784  1
  P  P254  1  0.354537  0.680559  0.373784  1
  P  P255  1  0.509526  0.656765  0.403459  1
  P  P256  1  0.021204  0.680559  0.373784  1
  P  P257  1  0.176192  0.656765  0.403459  1
  P  P258  1  0.553538  0.174192  0.379664  1
  P  P259  1  0.707490  1.152686  0.410193  1
  P  P260  1  0.842859  0.656765  0.403459  1
  P  P261  1  0.220204  0.174192  0.379664  1
  P  P262  1  0.374157  1.152686  0.410193  1
  P  P263  1  0.886871  0.174192  0.379664  1
  P  P264  1  0.040823  1.152686  0.410193  1
  P  P265  1  0.723878  0.512982  0.429537  1
  P  P266  1  0.390544  0.512982  0.429537  1
  P  P267  1  0.568862  0.535645  0.399031  1
  P  P268  1  0.057211  0.512982  0.429537  1
  P  P269  1  0.235529  0.535645  0.399031  1
  P  P270  1  0.544759  0.991584  0.459407  1
  P  P271  1  0.723718  1.013788  0.428991  1
  P  P272  1  0.902195  0.535645  0.399031  1
  P  P273  1  0.211426  0.991584  0.459407  1
  P  P274  1  0.390385  1.013788  0.428991  1
  P  P275  1  0.878093  0.991584  0.459407  1
  P  P276  1  0.057052  1.013788  0.428991  1
  P  P277  1  0.765372  0.918311  0.388326  1
  P  P278  1  0.432039  0.918311  0.388326  1
  P  P279  1  0.586738  0.896563  0.418781  1
  P  P280  1  0.098705  0.918311  0.388326  1
  P  P281  1  0.253405  0.896563  0.418781  1
  P  P282  1  0.628635  0.414095  0.394410  1
  P  P283  1  0.783527  0.391347  0.424803  1
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