# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73475809
_cell_length_b   15.56682331
_cell_length_c   41.86946589
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.34273726
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P335
_cell_volume   13431.6642941
_cell_formula_units_Z   335
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  0.277011  0.199415  0.966862  1
  P  P2  1  0.277011  0.699415  0.966862  1
  P  P3  1  0.777011  0.199415  0.966862  1
  P  P4  1  0.777011  0.699415  0.966862  1
  P  P5  1  0.129327  0.283674  0.975148  1
  P  P6  1  0.129327  0.783674  0.975148  1
  P  P7  1  0.629327  0.283674  0.975148  1
  P  P8  1  0.629327  0.783674  0.975148  1
  P  P9  1  0.017542  0.050761  0.354537  1
  P  P10  1  0.017213  0.550533  0.354546  1
  P  P11  1  0.516607  0.050091  0.354832  1
  P  P12  1  0.517441  0.550704  0.354876  1
  P  P13  1  0.270362  0.407591  0.527973  1
  P  P14  1  0.269962  0.909395  0.528180  1
  P  P15  1  0.770091  0.408835  0.527976  1
  P  P16  1  0.769761  0.908868  0.527931  1
  P  P17  1  0.020130  0.158801  0.528490  1
  P  P18  1  0.020248  0.658799  0.528395  1
  P  P19  1  0.521172  0.159932  0.528947  1
  P  P20  1  0.520116  0.658492  0.528366  1
  P  P21  1  0.402135  0.323509  0.966695  1
  P  P22  1  0.402135  0.823509  0.966695  1
  P  P23  1  0.902135  0.323509  0.966695  1
  P  P24  1  0.902135  0.823509  0.966695  1
  P  P25  1  0.263043  0.042400  0.588905  1
  P  P26  1  0.263674  0.541837  0.588577  1
  P  P27  1  0.763237  0.042659  0.588650  1
  P  P28  1  0.763225  0.542710  0.588545  1
  P  P29  1  0.269105  0.302990  0.354394  1
  P  P30  1  0.267936  0.800589  0.354059  1
  P  P31  1  0.768143  0.301508  0.354070  1
  P  P32  1  0.768138  0.801911  0.353998  1
  P  P33  1  0.241406  0.329959  0.597419  1
  P  P34  1  0.241118  0.832518  0.598341  1
  P  P35  1  0.741131  0.332097  0.598075  1
  P  P36  1  0.740380  0.832429  0.597875  1
  P  P37  1  0.116385  0.457319  0.598167  1
  P  P38  1  0.114970  0.957343  0.597839  1
  P  P39  1  0.615714  0.458447  0.598192  1
  P  P40  1  0.614422  0.958275  0.597784  1
  P  P41  1  0.372969  0.573758  0.537161  1
  P  P42  1  0.872923  0.074155  0.536876  1
  P  P43  1  0.873125  0.574198  0.536889  1
  P  P44  1  0.387864  0.059335  0.089853  1
  P  P45  1  0.387864  0.559335  0.089853  1
  P  P46  1  0.887864  0.059335  0.089853  1
  P  P47  1  0.887864  0.559335  0.089853  1
  P  P48  1  0.145637  0.044694  0.854187  1
  P  P49  1  0.145637  0.544694  0.854187  1
  P  P50  1  0.645637  0.044694  0.854187  1
  P  P51  1  0.645637  0.544694  0.854187  1
  P  P52  1  0.507342  0.050571  0.149210  1
  P  P53  1  0.507342  0.550571  0.149210  1
  P  P54  1  1.007342  0.050571  0.149210  1
  P  P55  1  1.007342  0.550571  0.149210  1
  P  P56  1  0.391327  0.301648  0.853893  1
  P  P57  1  0.391327  0.801648  0.853893  1
  P  P58  1  0.891327  0.301648  0.853893  1
  P  P59  1  0.891327  0.801648  0.853893  1
  P  P60  1  0.236356  0.462334  0.656904  1
  P  P61  1  0.230786  0.968568  0.657219  1
  P  P62  1  0.733804  0.466345  0.657192  1
  P  P63  1  0.732073  0.967207  0.656910  1
  P  P64  1  0.123572  0.322144  0.536983  1
  P  P65  1  0.122522  0.823606  0.537025  1
  P  P66  1  0.622666  0.323901  0.537268  1
  P  P67  1  0.621047  0.825010  0.536905  1
  P  P68  1  0.409278  0.018072  0.406470  1
  P  P69  1  0.408728  0.516803  0.405622  1
  P  P70  1  0.909042  0.017466  0.405519  1
  P  P71  1  0.909094  0.517512  0.405621  1
  P  P72  1  0.504345  0.158941  0.975219  1
  P  P73  1  0.504345  0.658941  0.975219  1
  P  P74  1  1.004345  0.158941  0.975219  1
  P  P75  1  1.004345  0.658941  0.975219  1
  P  P76  1  0.020219  0.316276  0.028562  1
  P  P77  1  0.020219  0.816276  0.028562  1
  P  P78  1  0.520219  0.316276  0.028562  1
  P  P79  1  0.520219  0.816276  0.028562  1
  P  P80  1  0.136701  0.415883  0.913929  1
  P  P81  1  0.136701  0.915883  0.913929  1
  P  P82  1  0.636701  0.415883  0.913929  1
  P  P83  1  0.636701  0.915883  0.913929  1
  P  P84  1  0.026910  0.448664  0.966659  1
  P  P85  1  0.026910  0.948664  0.966659  1
  P  P86  1  0.526910  0.448664  0.966659  1
  P  P87  1  0.526910  0.948664  0.966659  1
  P  P88  1  0.136750  0.059282  0.413930  1
  P  P89  1  0.136855  0.559381  0.413866  1
  P  P90  1  0.636668  0.059412  0.413890  1
  P  P91  1  0.636633  0.559281  0.414143  1
  P  P92  1  0.138641  0.165423  0.590284  1
  P  P93  1  0.138245  0.666032  0.590053  1
  P  P94  1  0.638508  0.166229  0.590650  1
  P  P95  1  0.637852  0.666775  0.589982  1
  P  P96  1  0.145427  0.430108  0.354206  1
  P  P97  1  0.146242  0.930866  0.354188  1
  P  P98  1  0.645727  0.430633  0.354358  1
  P  P99  1  0.645308  0.930375  0.354218  1
  P  P100  1  1.011241  0.183931  0.413714  1
  P  P101  1  1.011180  0.683916  0.413660  1
  P  P102  1  0.510972  0.183664  0.414111  1
  P  P103  1  0.510888  0.683918  0.414045  1
  P  P104  1  0.378928  0.430524  0.149595  1
  P  P105  1  0.378928  0.930524  0.149595  1
  P  P106  1  0.878928  0.430524  0.149595  1
  P  P107  1  0.878928  0.930524  0.149595  1
  P  P108  1  0.391402  0.173581  0.354123  1
  P  P109  1  0.391600  0.673731  0.354218  1
  P  P110  1  0.891409  0.173559  0.353894  1
  P  P111  1  0.891265  0.673524  0.353846  1
  P  P112  1  0.247554  0.275802  0.036920  1
  P  P113  1  0.247554  0.775802  0.036920  1
  P  P114  1  0.747554  0.275802  0.036920  1
  P  P115  1  0.747554  0.775802  0.036920  1
  P  P116  1  0.240938  0.143507  0.098058  1
  P  P117  1  0.240938  0.643507  0.098058  1
  P  P118  1  0.740938  0.143507  0.098058  1
  P  P119  1  0.740938  0.643507  0.098058  1
  P  P120  1  0.395621  0.282906  0.528978  1
  P  P121  1  0.395059  0.782861  0.528570  1
  P  P122  1  0.895315  0.283665  0.528571  1
  P  P123  1  0.895046  0.783595  0.528438  1
  P  P124  1  0.026882  0.026527  0.466547  1
  P  P125  1  0.026956  0.526543  0.466583  1
  P  P126  1  0.527412  0.026736  0.466801  1
  P  P127  1  0.526776  0.525942  0.466674  1
  P  P128  1  0.133237  0.173570  0.149889  1
  P  P129  1  0.133237  0.673570  0.149889  1
  P  P130  1  0.633237  0.173570  0.149889  1
  P  P131  1  0.633237  0.673570  0.149889  1
  P  P132  1  1.011109  0.291295  0.913715  1
  P  P133  1  1.011109  0.791295  0.913715  1
  P  P134  1  0.511109  0.291295  0.913715  1
  P  P135  1  0.511109  0.791295  0.913715  1
  P  P136  1  0.387976  0.415125  0.590174  1
  P  P137  1  0.387532  0.918137  0.589001  1
  P  P138  1  0.887962  0.415950  0.589672  1
  P  P139  1  0.887740  0.915852  0.589662  1
  P  P140  1  0.366177  0.204744  0.598443  1
  P  P141  1  0.365676  0.707723  0.598750  1
  P  P142  1  0.865986  0.206558  0.598640  1
  P  P143  1  0.865583  0.706642  0.598475  1
  P  P144  1  0.158920  0.268663  0.405058  1
  P  P145  1  0.158640  0.768865  0.405148  1
  P  P146  1  0.658721  0.268721  0.405128  1
  P  P147  1  0.658612  0.768516  0.405029  1
  P  P148  1  0.497569  0.448327  0.537321  1
  P  P149  1  0.494801  0.952331  0.537001  1
  P  P150  1  0.998303  0.448304  0.537110  1
  P  P151  1  0.997411  0.948539  0.536947  1
  P  P152  1  0.497655  0.026553  0.037122  1
  P  P153  1  0.497655  0.526553  0.037122  1
  P  P154  1  0.997655  0.026553  0.037122  1
  P  P155  1  0.997655  0.526553  0.037122  1
  P  P156  1  0.034805  0.081845  0.905326  1
  P  P157  1  0.034805  0.581845  0.905326  1
  P  P158  1  0.534805  0.081845  0.905326  1
  P  P159  1  0.534805  0.581845  0.905326  1
  P  P160  1  0.276865  0.275905  0.466739  1
  P  P161  1  0.276979  0.776011  0.467106  1
  P  P162  1  0.777167  0.275801  0.466857  1
  P  P163  1  0.776944  0.775710  0.466716  1
  P  P164  1  0.254567  0.408778  0.975730  1
  P  P165  1  0.254567  0.908778  0.975730  1
  P  P166  1  0.754567  0.408778  0.975730  1
  P  P167  1  0.754567  0.908778  0.975730  1
  P  P168  1  0.293096  0.007376  0.346926  1
  P  P169  1  0.289684  0.511462  0.346649  1
  P  P170  1  0.790656  0.009661  0.346553  1
  P  P171  1  0.791407  0.508773  0.346569  1
  P  P172  1  0.034834  0.393299  0.405303  1
  P  P173  1  0.034853  0.893440  0.405203  1
  P  P174  1  0.534662  0.392922  0.405454  1
  P  P175  1  0.534752  0.893149  0.405492  1
  P  P176  1  0.269998  0.066440  0.028052  1
  P  P177  1  0.269998  0.566440  0.028052  1
  P  P178  1  0.769998  0.066440  0.028052  1
  P  P179  1  0.769998  0.566440  0.028052  1
  P  P180  1  0.365843  0.268784  0.098685  1
  P  P181  1  0.365843  0.768784  0.098685  1
  P  P182  1  0.865843  0.268784  0.098685  1
  P  P183  1  0.865843  0.768784  0.098685  1
  P  P184  1  0.151514  0.074090  0.966819  1
  P  P185  1  0.151514  0.574090  0.966819  1
  P  P186  1  0.651514  0.074090  0.966819  1
  P  P187  1  0.651514  0.574090  0.966819  1
  P  P188  1  0.129779  0.191338  0.475185  1
  P  P189  1  0.129446  0.691315  0.475183  1
  P  P190  1  0.629555  0.191772  0.475224  1
  P  P191  1  0.628949  0.691956  0.475214  1
  P  P192  1  0.256395  0.301682  0.149757  1
  P  P193  1  0.256395  0.801682  0.149757  1
  P  P194  1  0.756395  0.301682  0.149757  1
  P  P195  1  0.756395  0.801682  0.149757  1
  P  P196  1  0.395238  0.191544  0.028634  1
  P  P197  1  0.395238  0.691544  0.028634  1
  P  P198  1  0.895238  0.191544  0.028634  1
  P  P199  1  0.895238  0.691544  0.028634  1
  P  P200  1  0.261216  0.042431  0.915047  1
  P  P201  1  0.261216  0.542431  0.915047  1
  P  P202  1  0.761216  0.042431  0.915047  1
  P  P203  1  0.761216  0.542431  0.915047  1
  P  P204  1  0.261391  0.433109  0.415164  1
  P  P205  1  0.261228  0.932469  0.415136  1
  P  P206  1  0.761320  0.432816  0.415109  1
  P  P207  1  0.761150  0.932807  0.414975  1
  P  P208  1  0.017223  0.424647  0.854571  1
  P  P209  1  0.017223  0.924647  0.854571  1
  P  P210  1  0.517223  0.424647  0.854571  1
  P  P211  1  0.517223  0.924647  0.854571  1
  P  P212  1  0.257280  0.174927  0.649847  1
  P  P213  1  0.255560  0.671630  0.649440  1
  P  P214  1  0.756919  0.174237  0.649832  1
  P  P215  1  0.755929  0.673809  0.649405  1
  P  P216  1  0.504291  0.315745  0.475514  1
  P  P217  1  0.503744  0.817268  0.475505  1
  P  P218  1  1.004633  0.316119  0.475249  1
  P  P219  1  1.004377  0.816220  0.475110  1
  P  P220  1  0.291171  0.466012  0.846601  1
  P  P221  1  0.291171  0.966012  0.846601  1
  P  P222  1  0.791171  0.466012  0.846601  1
  P  P223  1  0.791171  0.966012  0.846601  1
  P  P224  1  0.386309  0.165994  0.913421  1
  P  P225  1  0.386309  0.665994  0.913421  1
  P  P226  1  0.886309  0.165994  0.913421  1
  P  P227  1  0.886309  0.665994  0.913421  1
  P  P228  1  0.263348  0.432787  0.088735  1
  P  P229  1  0.263348  0.932787  0.088735  1
  P  P230  1  0.763348  0.432787  0.088735  1
  P  P231  1  0.763348  0.932787  0.088735  1
  P  P232  1  0.158722  0.206434  0.905097  1
  P  P233  1  0.158722  0.706434  0.905097  1
  P  P234  1  0.658722  0.206434  0.905097  1
  P  P235  1  0.658722  0.706434  0.905097  1
  P  P236  1  0.513455  0.183923  0.090066  1
  P  P237  1  0.513455  0.683923  0.090066  1
  P  P238  1  0.013455  0.183923  0.090066  1
  P  P239  1  0.013455  0.683923  0.090066  1
  P  P240  1  0.115511  0.017536  0.098119  1
  P  P241  1  0.115511  0.517536  0.098119  1
  P  P242  1  0.615511  0.017536  0.098119  1
  P  P243  1  0.615511  0.517536  0.098119  1
  P  P244  1  0.513851  0.291715  0.590476  1
  P  P245  1  0.512691  0.792401  0.589430  1
  P  P246  1  0.013839  0.291185  0.589870  1
  P  P247  1  0.013204  0.791011  0.589893  1
  P  P248  1  0.133387  0.301330  0.649677  1
  P  P249  1  0.133127  0.801350  0.649704  1
  P  P250  1  0.633701  0.302325  0.650068  1
  P  P251  1  0.632519  0.802025  0.649465  1
  P  P252  1  0.379986  0.440711  0.475860  1
  P  P253  1  0.379224  0.941421  0.476110  1
  P  P254  1  0.880075  0.441054  0.475653  1
  P  P255  1  0.879745  0.941018  0.475504  1
  P  P256  1  0.373051  0.401128  0.036962  1
  P  P257  1  0.373051  0.901128  0.036962  1
  P  P258  1  0.873051  0.401128  0.036962  1
  P  P259  1  0.873051  0.901128  0.036962  1
  P  P260  1  0.233393  0.009206  0.157180  1
  P  P261  1  0.233393  0.509206  0.157180  1
  P  P262  1  0.733393  0.009206  0.157180  1
  P  P263  1  0.733393  0.509206  0.157180  1
  P  P264  1  0.268170  0.173535  0.854024  1
  P  P265  1  0.268170  0.673535  0.854024  1
  P  P266  1  0.768170  0.173535  0.854024  1
  P  P267  1  0.768170  0.673535  0.854024  1
  P  P268  1  0.283626  0.331711  0.905724  1
  P  P269  1  0.283626  0.831711  0.905724  1
  P  P270  1  0.783626  0.331711  0.905724  1
  P  P271  1  0.783626  0.831711  0.905724  1
  P  P272  1  0.379856  0.034213  0.975627  1
  P  P273  1  0.379856  0.534213  0.975627  1
  P  P274  1  0.879856  0.034213  0.975627  1
  P  P275  1  0.879856  0.534213  0.975627  1
  P  P276  1  0.151475  0.401194  0.466729  1
  P  P277  1  0.151483  0.901074  0.466853  1
  P  P278  1  0.651559  0.400945  0.466841  1
  P  P279  1  0.651620  0.901065  0.466720  1
  P  P280  1  0.409054  0.457682  0.905662  1
  P  P281  1  0.409054  0.957682  0.905662  1
  P  P282  1  0.909054  0.457682  0.905662  1
  P  P283  1  0.909054  0.957682  0.905662  1
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