# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   54.85999725
_cell_length_b   55.11196021
_cell_length_c   46.73561747
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.87668516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   140211.793738
_cell_formula_units_Z   648
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  0.352598  0.756812  0.338319  1
  P  P2  1  0.685931  0.423479  0.338319  1
  P  P3  1  0.707190  0.777161  0.291091  1
  P  P4  1  0.998169  0.737123  0.385938  1
  P  P5  1  0.331502  0.403790  0.385938  1
  P  P6  1  0.664835  0.070456  0.385938  1
  P  P7  1  0.019264  0.090145  0.338319  1
  P  P8  1  0.040523  0.443827  0.291091  1
  P  P9  1  0.373857  0.110494  0.291091  1
  P  P10  1  0.313090  0.598366  0.424928  1
  P  P11  1  0.646424  0.265032  0.424928  1
  P  P12  1  0.667519  0.618055  0.377309  1
  P  P13  1  0.021948  0.637744  0.329690  1
  P  P14  1  0.355281  0.304411  0.329690  1
  P  P15  1  0.688615  0.971077  0.329690  1
  P  P16  1  0.979757  0.931699  0.424928  1
  P  P17  1  1.000853  0.284722  0.377309  1
  P  P18  1  0.334186  0.951388  0.377309  1
  P  P19  1  0.346809  0.810084  0.313308  1
  P  P20  1  0.680142  0.476750  0.313308  1
  P  P21  1  0.637951  0.770705  0.408546  1
  P  P22  1  0.992380  0.790395  0.360927  1
  P  P23  1  0.325713  0.457061  0.360927  1
  P  P24  1  0.659047  0.123728  0.360927  1
  P  P25  1  0.013476  0.143417  0.313308  1
  P  P26  1  0.971285  0.437372  0.408546  1
  P  P27  1  0.304618  0.104039  0.408546  1
  P  P28  1  0.382128  0.604232  0.307038  1
  P  P29  1  0.715462  0.270898  0.307038  1
  P  P30  1  0.673308  0.564783  0.402320  1
  P  P31  1  0.027737  0.584472  0.354701  1
  P  P32  1  0.361070  0.251139  0.354701  1
  P  P33  1  0.694403  0.917806  0.354701  1
  P  P34  1  0.048795  0.937565  0.307038  1
  P  P35  1  0.006641  0.231450  0.402320  1
  P  P36  1  0.339975  0.898117  0.402320  1
  P  P37  1  0.391212  0.792309  0.353645  1
  P  P38  1  0.724545  0.458976  0.353645  1
  P  P39  1  0.744916  0.811824  0.306081  1
  P  P40  1  0.036783  0.772620  0.401264  1
  P  P41  1  0.370116  0.439286  0.401264  1
  P  P42  1  0.703450  0.105953  0.401264  1
  P  P43  1  0.057879  0.125642  0.353645  1
  P  P44  1  0.078249  0.478490  0.306081  1
  P  P45  1  0.411583  0.145157  0.306081  1
  P  P46  1  0.274476  0.562869  0.409603  1
  P  P47  1  0.607809  0.229536  0.409603  1
  P  P48  1  0.628905  0.582558  0.361983  1
  P  P49  1  0.983334  0.602247  0.314364  1
  P  P50  1  0.316667  0.268914  0.314364  1
  P  P51  1  0.650001  0.935581  0.314364  1
  P  P52  1  0.941143  0.896202  0.409603  1
  P  P53  1  0.962238  0.249225  0.361983  1
  P  P54  1  0.295572  0.915891  0.361983  1
  P  P55  1  0.337784  0.801740  0.378709  1
  P  P56  1  0.671117  0.468407  0.378709  1
  P  P57  1  0.692737  0.821015  0.330600  1
  P  P58  1  0.983355  0.782051  0.426328  1
  P  P59  1  0.316689  0.448718  0.426328  1
  P  P60  1  0.650022  0.115384  0.426328  1
  P  P61  1  0.004451  0.135073  0.378709  1
  P  P62  1  0.026070  0.487681  0.330600  1
  P  P63  1  0.359403  0.154348  0.330600  1
  P  P64  1  0.327904  0.553438  0.384539  1
  P  P65  1  0.661237  0.220104  0.384539  1
  P  P66  1  0.682333  0.573127  0.336920  1
  P  P67  1  0.036762  0.592816  0.289300  1
  P  P68  1  0.370095  0.259483  0.289300  1
  P  P69  1  0.703428  0.926150  0.289300  1
  P  P70  1  0.994571  0.886771  0.384539  1
  P  P71  1  0.015666  0.239794  0.336920  1
  P  P72  1  0.348999  0.906460  0.336920  1
  P  P73  1  0.484478  0.723127  0.317794  1
  P  P74  1  0.817812  0.389794  0.317794  1
  P  P75  1  0.775654  0.683692  0.413080  1
  P  P76  1  0.130083  0.703381  0.365460  1
  P  P77  1  0.463416  0.370048  0.365460  1
  P  P78  1  0.796750  0.036715  0.365460  1
  P  P79  1  0.151145  0.056460  0.317794  1
  P  P80  1  0.108988  0.350359  0.413080  1
  P  P81  1  0.442321  0.017025  0.413080  1
  P  P82  1  0.244463  0.691175  0.302549  1
  P  P83  1  0.577796  0.357842  0.302549  1
  P  P84  1  0.535605  0.651796  0.397787  1
  P  P85  1  0.890034  0.671486  0.350168  1
  P  P86  1  0.223367  0.338152  0.350168  1
  P  P87  1  0.556700  0.004819  0.350168  1
  P  P88  1  0.911129  0.024508  0.302549  1
  P  P89  1  0.868938  0.318463  0.397787  1
  P  P90  1  0.202272  0.985130  0.397787  1
  P  P91  1  0.378825  0.674942  0.415668  1
  P  P92  1  0.712158  0.341609  0.415668  1
  P  P93  1  0.733254  0.694631  0.368049  1
  P  P94  1  0.087683  0.714321  0.320430  1
  P  P95  1  0.421016  0.380987  0.320430  1
  P  P96  1  0.754349  0.047654  0.320430  1
  P  P97  1  0.045492  0.008276  0.415668  1
  P  P98  1  0.066587  0.361298  0.368049  1
  P  P99  1  0.399920  0.027965  0.368049  1
  P  P100  1  0.286863  0.680236  0.347580  1
  P  P101  1  0.620196  0.346902  0.347580  1
  P  P102  1  0.640584  0.699706  0.299997  1
  P  P103  1  0.932434  0.660546  0.395199  1
  P  P104  1  0.265768  0.327213  0.395199  1
  P  P105  1  0.599101  0.993880  0.395199  1
  P  P106  1  0.953530  0.013569  0.347580  1
  P  P107  1  0.973918  0.366373  0.299997  1
  P  P108  1  0.307251  0.033039  0.299997  1
  P  P109  1  0.413964  0.714420  0.428599  1
  P  P110  1  0.747298  0.381087  0.428599  1
  P  P111  1  0.768393  0.734110  0.380980  1
  P  P112  1  0.122822  0.753799  0.333361  1
  P  P113  1  0.456156  0.420466  0.333361  1
  P  P114  1  0.789489  0.087132  0.333361  1
  P  P115  1  0.080631  0.047754  0.428599  1
  P  P116  1  0.101727  0.400776  0.380980  1
  P  P117  1  0.435060  0.067443  0.380980  1
  P  P118  1  0.251724  0.640757  0.334649  1
  P  P119  1  0.585057  0.307424  0.334649  1
  P  P120  1  0.606253  0.661151  0.287346  1
  P  P121  1  0.897295  0.621068  0.382268  1
  P  P122  1  0.230628  0.287735  0.382268  1
  P  P123  1  0.563961  0.954401  0.382268  1
  P  P124  1  0.918390  0.974091  0.334649  1
  P  P125  1  0.939587  0.327817  0.287346  1
  P  P126  1  0.272920  0.994484  0.287346  1
  P  P127  1  0.433757  0.666529  0.395307  1
  P  P128  1  0.767090  0.333195  0.395307  1
  P  P129  1  0.788186  0.686218  0.347688  1
  P  P130  1  0.142614  0.705907  0.300069  1
  P  P131  1  0.475948  0.372574  0.300069  1
  P  P132  1  0.809281  0.039240  0.300069  1
  P  P133  1  0.100423  0.999862  0.395307  1
  P  P134  1  0.121519  0.352885  0.347688  1
  P  P135  1  0.454852  0.019551  0.347688  1
  P  P136  1  0.231931  0.688649  0.367940  1
  P  P137  1  0.565265  0.355316  0.367940  1
  P  P138  1  0.586933  0.707909  0.319920  1
  P  P139  1  0.877502  0.668960  0.415559  1
  P  P140  1  0.210836  0.335627  0.415559  1
  P  P141  1  0.544169  0.002293  0.415559  1
  P  P142  1  0.898598  0.021982  0.367940  1
  P  P143  1  0.920267  0.374576  0.319920  1
  P  P144  1  0.253600  0.041243  0.319920  1
  P  P145  1  0.233938  0.838810  0.367355  1
  P  P146  1  0.567271  0.505477  0.367355  1
  P  P147  1  0.588671  0.856740  0.318793  1
  P  P148  1  0.879509  0.819121  0.414974  1
  P  P149  1  0.212842  0.485787  0.414974  1
  P  P150  1  0.546175  0.152454  0.414974  1
  P  P151  1  0.900604  0.172143  0.367355  1
  P  P152  1  0.922004  0.523407  0.318793  1
  P  P153  1  0.255337  0.190074  0.318793  1
  P  P154  1  0.431750  0.516368  0.395892  1
  P  P155  1  0.765084  0.183035  0.395892  1
  P  P156  1  0.786179  0.536057  0.348273  1
  P  P157  1  0.140608  0.555746  0.300654  1
  P  P158  1  0.473942  0.222413  0.300654  1
  P  P159  1  0.807275  0.889080  0.300654  1
  P  P160  1  0.098417  0.849701  0.395892  1
  P  P161  1  0.119513  0.202724  0.348273  1
  P  P162  1  0.452846  0.869390  0.348273  1
  P  P163  1  0.244149  0.833391  0.301426  1
  P  P164  1  0.577482  0.500058  0.301426  1
  P  P165  1  0.535291  0.794013  0.396665  1
  P  P166  1  0.889720  0.813702  0.349046  1
  P  P167  1  0.223053  0.480369  0.349046  1
  P  P168  1  0.556387  0.147035  0.349046  1
  P  P169  1  0.910816  0.166724  0.301426  1
  P  P170  1  0.868625  0.460679  0.396665  1
  P  P171  1  0.201958  0.127346  0.396665  1
  P  P172  1  0.486485  0.581331  0.318094  1
  P  P173  1  0.819818  0.247998  0.318094  1
  P  P174  1  0.775968  0.541476  0.414202  1
  P  P175  1  0.130397  0.561165  0.366583  1
  P  P176  1  0.463730  0.227832  0.366583  1
  P  P177  1  0.797063  0.894498  0.366583  1
  P  P178  1  0.153152  0.914664  0.318094  1
  P  P179  1  0.109301  0.208143  0.414202  1
  P  P180  1  0.442635  0.874809  0.414202  1
  P  P181  1  0.194533  0.820135  0.326920  1
  P  P182  1  0.527866  0.486802  0.326920  1
  P  P183  1  0.485675  0.780757  0.422158  1
  P  P184  1  0.840104  0.800446  0.374539  1
  P  P185  1  0.173437  0.467113  0.374539  1
  P  P186  1  0.506770  0.133779  0.374539  1
  P  P187  1  0.861199  0.153469  0.326920  1
  P  P188  1  0.819008  0.447424  0.422158  1
  P  P189  1  0.152342  0.114090  0.422158  1
  P  P190  1  0.532711  0.593683  0.294288  1
  P  P191  1  0.866045  0.260350  0.294288  1
  P  P192  1  0.825584  0.554732  0.388709  1
  P  P193  1  0.180013  0.574421  0.341090  1
  P  P194  1  0.513346  0.241088  0.341090  1
  P  P195  1  0.846680  0.907754  0.341090  1
  P  P196  1  0.199378  0.927016  0.294288  1
  P  P197  1  0.158918  0.221398  0.388709  1
  P  P198  1  0.492251  0.888065  0.388709  1
  P  P199  1  0.243869  0.786611  0.339693  1
  P  P200  1  0.577202  0.453277  0.339693  1
  P  P201  1  0.597922  0.808108  0.292965  1
  P  P202  1  0.889440  0.766921  0.387312  1
  P  P203  1  0.222773  0.433588  0.387312  1
  P  P204  1  0.556107  0.100255  0.387312  1
  P  P205  1  0.910536  0.119944  0.339693  1
  P  P206  1  0.931256  0.474775  0.292965  1
  P  P207  1  0.264589  0.141442  0.292965  1
  P  P208  1  0.421819  0.568567  0.423554  1
  P  P209  1  0.755152  0.235234  0.423554  1
  P  P210  1  0.776248  0.588256  0.375935  1
  P  P211  1  0.130677  0.607946  0.328316  1
  P  P212  1  0.464010  0.274612  0.328316  1
  P  P213  1  0.797343  0.941279  0.328316  1
  P  P214  1  0.088486  0.901901  0.423554  1
  P  P215  1  0.109581  0.254923  0.375935  1
  P  P216  1  0.442915  0.921590  0.375935  1
  P  P217  1  0.289311  0.697744  0.481176  1
  P  P218  1  0.622644  0.364411  0.481176  1
  P  P219  1  0.643740  0.717434  0.433557  1
  P  P220  1  0.934882  0.678055  0.528795  1
  P  P221  1  0.268216  0.344722  0.528795  1
  P  P222  1  0.601549  0.011389  0.528795  1
  P  P223  1  0.955978  0.031078  0.481176  1
  P  P224  1  0.977073  0.384100  0.433557  1
  P  P225  1  0.310407  0.050767  0.433557  1
  P  P226  1  0.249804  0.539298  0.567786  1
  P  P227  1  0.583137  0.205965  0.567786  1
  P  P228  1  0.604233  0.558987  0.520166  1
  P  P229  1  0.958662  0.578676  0.472547  1
  P  P230  1  0.291995  0.245343  0.472547  1
  P  P231  1  0.625328  0.912010  0.472547  1
  P  P232  1  0.916471  0.872631  0.567786  1
  P  P233  1  0.937566  0.225654  0.520166  1
  P  P234  1  0.270899  0.892321  0.520166  1
  P  P235  1  0.283522  0.751016  0.456165  1
  P  P236  1  0.616856  0.417683  0.456165  1
  P  P237  1  0.574665  0.711638  0.551404  1
  P  P238  1  0.929093  0.731327  0.503784  1
  P  P239  1  0.262427  0.397994  0.503784  1
  P  P240  1  0.595760  0.064660  0.503784  1
  P  P241  1  0.950189  0.084349  0.456165  1
  P  P242  1  0.907998  0.378304  0.551404  1
  P  P243  1  0.241331  0.044971  0.551404  1
  P  P244  1  0.318879  0.545094  0.449939  1
  P  P245  1  0.652212  0.211761  0.449939  1
  P  P246  1  0.610021  0.505716  0.545177  1
  P  P247  1  0.964450  0.525405  0.497558  1
  P  P248  1  0.297784  0.192071  0.497558  1
  P  P249  1  0.631117  0.858738  0.497558  1
  P  P250  1  0.985546  0.878427  0.449939  1
  P  P251  1  0.943355  0.172382  0.545177  1
  P  P252  1  0.276688  0.839049  0.545177  1
  P  P253  1  0.327925  0.733241  0.496502  1
  P  P254  1  0.661259  0.399908  0.496502  1
  P  P255  1  0.682354  0.752931  0.448883  1
  P  P256  1  0.973496  0.713552  0.544121  1
  P  P257  1  0.306830  0.380219  0.544121  1
  P  P258  1  0.640163  0.046885  0.544121  1
  P  P259  1  0.994592  0.066575  0.496502  1
  P  P260  1  0.015687  0.419597  0.448883  1
  P  P261  1  0.349021  0.086264  0.448883  1
  P  P262  1  0.211190  0.503801  0.552460  1
  P  P263  1  0.544523  0.170468  0.552460  1
  P  P264  1  0.565618  0.523490  0.504841  1
  P  P265  1  0.920047  0.543180  0.457222  1
  P  P266  1  0.253381  0.209846  0.457222  1
  P  P267  1  0.586714  0.876513  0.457222  1
  P  P268  1  0.877856  0.837135  0.552460  1
  P  P269  1  0.898952  0.190157  0.504841  1
  P  P270  1  0.232285  0.856824  0.504841  1
  P  P271  1  0.274498  0.742672  0.521566  1
  P  P272  1  0.607831  0.409339  0.521566  1
  P  P273  1  0.628926  0.762362  0.473947  1
  P  P274  1  0.920069  0.722983  0.569185  1
  P  P275  1  0.253402  0.389650  0.569185  1
  P  P276  1  0.586735  0.056317  0.569185  1
  P  P277  1  0.941164  0.076006  0.521566  1
  P  P278  1  0.962260  0.429028  0.473947  1
  P  P279  1  0.295593  0.095695  0.473947  1
  P  P280  1  0.264617  0.494370  0.527396  1
  P  P281  1  0.597951  0.161037  0.527396  1
  P  P282  1  0.619046  0.514059  0.479777  1
  P  P283  1  0.973475  0.533749  0.432158  1
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  P  P575  1  0.793120  0.256870  0.606035  1
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  P  P611  1  0.982728  0.090007  0.699916  1
  P  P612  1  0.316061  0.756674  0.699916  1
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  P  P615  1  0.360832  0.663049  0.707055  1
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  P  P617  1  0.046864  0.348977  0.660253  1
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  P  P621  1  0.027499  0.996382  0.707055  1
  P  P622  1  0.407869  0.475975  0.579185  1
  P  P623  1  0.741202  0.142642  0.579185  1
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