# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84011509
_cell_length_b   48.21432925
_cell_length_c   51.74609602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   19560.3291076
_cell_formula_units_Z   252
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  0.345057  0.229201  0.371134  1
  P  P2  1  0.480540  0.204202  0.315787  1
  P  P3  1  0.191278  0.654034  0.426118  1
  P  P4  1  0.854188  0.826135  0.421315  1
  P  P5  1  0.387648  0.768242  0.337564  1
  P  P6  1  0.611243  0.258165  0.413288  1
  P  P7  1  0.118468  0.865313  0.387747  1
  P  P8  1  0.736028  0.597074  0.344487  1
  P  P9  1  0.705071  0.868235  0.375066  1
  P  P10  1  0.973061  0.838318  0.333721  1
  P  P11  1  0.247541  0.742119  0.283566  1
  P  P12  1  0.085762  0.336235  0.345952  1
  P  P13  1  -0.004172  0.126458  0.384896  1
  P  P14  1  0.092684  0.403230  0.353958  1
  P  P15  1  0.437761  0.071884  0.305293  1
  P  P16  1  0.970404  0.904838  0.340528  1
  P  P17  1  0.709127  0.799530  0.366768  1
  P  P18  1  0.129685  0.661750  0.364308  1
  P  P19  1  0.204032  0.175643  0.274719  1
  P  P20  1  0.614872  0.326579  0.421254  1
  P  P21  1  0.741310  0.165608  0.349888  1
  P  P22  1  0.803541  0.171203  0.287356  1
  P  P23  1  0.270622  0.607988  0.268870  1
  P  P24  1  0.384510  0.836358  0.345657  1
  P  P25  1  0.017059  0.570569  0.303836  1
  P  P26  1  0.452411  0.692756  0.392770  1
  P  P27  1  0.832238  0.373006  0.311685  1
  P  P28  1  0.464337  0.625953  0.385583  1
  P  P29  1  0.490509  0.271941  0.323738  1
  P  P30  1  0.227126  0.311125  0.291592  1
  P  P31  1  0.653079  0.738645  0.295667  1
  P  P32  1  0.123046  0.729172  0.371570  1
  P  P33  1  0.353343  0.433157  0.395873  1
  P  P34  1  0.465093  0.137641  0.307848  1
  P  P35  1  0.850522  0.894451  0.429393  1
  P  P36  1  0.438529  0.897388  0.416385  1
  P  P37  1  0.674753  0.603196  0.283021  1
  P  P38  1  0.976067  0.770827  0.324251  1
  P  P39  1  0.025477  0.328808  0.408673  1
  P  P40  1  0.060878  0.132936  0.322727  1
  P  P41  1  0.659111  0.670527  0.288113  1
  P  P42  1  0.751750  0.232673  0.358122  1
  P  P43  1  0.137975  0.595629  0.358387  1
  P  P44  1  0.860113  0.689388  0.406197  1
  P  P45  1  0.081977  0.268390  0.337359  1
  P  P46  1  0.496528  0.339873  0.333078  1
  P  P47  1  0.075208  0.200562  0.329298  1
  P  P48  1  0.446993  0.760192  0.400952  1
  P  P49  1  0.559308  0.344346  0.272254  1
  P  P50  1  0.349407  0.297425  0.379241  1
  P  P51  1  0.015248  0.193054  0.392192  1
  P  P52  1  -0.006268  0.635864  0.309318  1
  P  P53  1  0.717803  0.099226  0.344071  1
  P  P54  1  0.376717  0.903656  0.353546  1
  P  P55  1  0.715357  0.731551  0.358651  1
  P  P56  1  0.035750  0.067213  0.315806  1
  P  P57  1  0.183812  0.107757  0.269005  1
  P  P58  1  0.820619  0.306245  0.303391  1
  P  P59  1  0.336129  0.160786  0.363847  1
  P  P60  1  0.351913  0.365670  0.387746  1
  P  P61  1  0.028159  0.396891  0.416485  1
  P  P62  1  0.650576  0.806770  0.303351  1
  P  P63  1  0.645137  0.874322  0.312358  1
  P  P64  1  0.982338  0.703123  0.316399  1
  P  P65  1  0.758038  0.300361  0.366441  1
  P  P66  1  0.032271  0.463660  0.425193  1
  P  P67  1  0.274751  0.154246  0.426281  1
  P  P68  1  0.605777  0.189797  0.405377  1
  P  P69  1  0.021720  0.260802  0.400404  1
  P  P70  1  0.856221  0.757646  0.413593  1
  P  P71  1  0.778009  0.103885  0.282068  1
  P  P72  1  0.240481  0.809806  0.291741  1
  P  P73  1  0.217230  0.243336  0.282961  1
  P  P74  1  0.617808  0.394887  0.429288  1
  P  P75  1  0.722048  0.663971  0.350716  1
  P  P76  1  0.120997  0.796954  0.379555  1
  P  P77  1  0.392406  0.700129  0.329750  1
  P  P78  1  0.762757  0.368586  0.374499  1
  P  P79  1  0.255981  0.674515  0.275794  1
  P  P80  1  0.813248  0.238692  0.295273  1
  P  P81  1  0.400616  0.631674  0.322999  1
  P  P82  1  0.104322  0.932278  0.394838  1
  P  P83  1  0.918627  0.846739  0.273560  1
  P  P84  1  0.443288  0.828579  0.408797  1
  P  P85  1  0.410075  0.344499  0.538861  1
  P  P86  1  0.555168  0.317823  0.484559  1
  P  P87  1  0.123078  0.769419  0.593508  1
  P  P88  1  0.788732  0.941826  0.588590  1
  P  P89  1  0.321276  0.884276  0.504945  1
  P  P90  1  0.675792  0.373352  0.580645  1
  P  P91  1  0.052489  0.981049  0.554770  1
  P  P92  1  0.655950  0.711246  0.510533  1
  P  P93  1  0.640161  0.983701  0.542000  1
  P  P94  1  0.907819  0.954325  0.500001  1
  P  P95  1  0.176834  0.857551  0.450604  1
  P  P96  1  0.149834  0.452467  0.512991  1
  P  P97  1  0.074694  0.240276  0.552233  1
  P  P98  1  0.155328  0.519430  0.521959  1
  P  P99  1  0.545628  0.182785  0.467900  1
  P  P100  1  0.904860  0.021035  0.508229  1
  P  P101  1  0.643419  0.915184  0.534136  1
  P  P102  1  0.060345  0.776573  0.531286  1
  P  P103  1  0.288626  0.289159  0.442535  1
  P  P104  1  0.679538  0.441739  0.588752  1
  P  P105  1  0.818331  0.278431  0.518296  1
  P  P106  1  0.878069  0.286984  0.455330  1
  P  P107  1  0.183334  0.720947  0.434630  1
  P  P108  1  0.317908  0.952539  0.512746  1
  P  P109  1  0.928490  0.682842  0.468934  1
  P  P110  1  0.384193  0.807460  0.560170  1
  P  P111  1  0.893470  0.490623  0.479054  1
  P  P112  1  0.386105  0.740045  0.551921  1
  P  P113  1  0.558089  0.386399  0.492426  1
  P  P114  1  0.296045  0.425977  0.458574  1
  P  P115  1  0.587455  0.855348  0.463063  1
  P  P116  1  0.057970  0.844586  0.538986  1
  P  P117  1  0.422537  0.548114  0.563387  1
  P  P118  1  0.551195  0.249929  0.476299  1
  P  P119  1  0.784830  1.009952  0.596656  1
  P  P120  1  0.373723  1.012878  0.583402  1
  P  P121  1  0.594442  0.718020  0.447884  1
  P  P122  1  0.910194  0.886313  0.492301  1
  P  P123  1  0.090096  0.443915  0.575957  1
  P  P124  1  0.141640  0.247208  0.489462  1
  P  P125  1  0.590405  0.786737  0.455408  1
  P  P126  1  0.821622  0.346751  0.526248  1
  P  P127  1  0.063305  0.709864  0.523057  1
  P  P128  1  0.794702  0.804958  0.573392  1
  P  P129  1  0.146543  0.384148  0.505039  1
  P  P130  1  0.561634  0.455118  0.500086  1
  P  P131  1  0.144351  0.315567  0.497079  1
  P  P132  1  0.380709  0.875551  0.568223  1
  P  P133  1  0.623461  0.461991  0.437296  1
  P  P134  1  0.412996  0.413076  0.546727  1
  P  P135  1  0.085301  0.307446  0.559988  1
  P  P136  1  0.915675  0.749849  0.476517  1
  P  P137  1  0.812836  0.211469  0.509328  1
  P  P138  1  0.312214  0.019653  0.520754  1
  P  P139  1  0.646888  0.846623  0.526342  1
  P  P140  1  0.870382  0.152806  0.439630  1
  P  P141  1  0.283767  0.221190  0.434271  1
  P  P142  1  0.882863  0.423453  0.471299  1
  P  P143  1  0.406530  0.275780  0.531200  1
  P  P144  1  0.416969  0.480969  0.554988  1
  P  P145  1  0.093440  0.511728  0.583929  1
  P  P146  1  0.583971  0.923438  0.471117  1
  P  P147  1  0.582059  0.990854  0.479365  1
  P  P148  1  0.912646  0.817982  0.484478  1
  P  P149  1  0.823813  0.415332  0.534208  1
  P  P150  1  0.097782  0.578093  0.591656  1
  P  P151  1  0.344703  0.268908  0.593991  1
  P  P152  1  0.672119  0.304921  0.572713  1
  P  P153  1  0.087834  0.375601  0.568104  1
  P  P154  1  0.791330  0.873348  0.580683  1
  P  P155  1  0.874725  0.219171  0.447357  1
  P  P156  1  0.173462  0.925940  0.457895  1
  P  P157  1  0.292373  0.357547  0.450641  1
  P  P158  1  0.684398  0.509708  0.597015  1
  P  P159  1  0.650256  0.778359  0.518540  1
  P  P160  1  0.055518  0.912917  0.546808  1
  P  P161  1  0.324745  0.815714  0.497151  1
  P  P162  1  0.826524  0.483691  0.541824  1
  P  P163  1  0.179432  0.789073  0.442697  1
  P  P164  1  0.880330  0.355297  0.463183  1
  P  P165  1  0.328004  0.747198  0.489287  1
  P  P166  1  0.039674  0.048057  0.562353  1
  P  P167  1  0.845087  0.961480  0.437779  1
  P  P168  1  0.377759  0.944162  0.575878  1
  P  P169  1  0.477655  0.458957  0.707549  1
  P  P170  1  0.618758  0.433474  0.652046  1
  P  P171  1  0.049538  0.884160  0.757726  1
  P  P172  1  0.712184  0.056384  0.755492  1
  P  P173  1  0.252807  0.999348  0.672636  1
  P  P174  1  0.750934  0.487563  0.748326  1
  P  P175  1  0.974433  0.095035  0.721969  1
  P  P176  1  0.591447  0.827243  0.677741  1
  P  P177  1  0.567548  0.099225  0.708288  1
  P  P178  1  0.838479  0.069149  0.666979  1
  P  P179  1  0.111944  0.973252  0.617694  1
  P  P180  1  0.226854  0.565291  0.681399  1
  P  P181  1  0.135927  0.357892  0.719601  1
  P  P182  1  0.250362  0.631672  0.687216  1
  P  P183  1  0.614822  0.297742  0.635414  1
  P  P184  1  0.830189  0.135270  0.672900  1
  P  P185  1  0.575758  0.030770  0.701537  1
  P  P186  1  -0.004897  0.892581  0.697566  1
  P  P187  1  0.353292  0.404320  0.610033  1
  P  P188  1  0.764132  0.555256  0.756568  1
  P  P189  1  0.882402  0.394664  0.685334  1
  P  P190  1  0.942688  0.402091  0.622614  1
  P  P191  1  0.117643  0.836448  0.601893  1
  P  P192  1  0.246116  0.066928  0.680571  1
  P  P193  1  0.863843  0.798621  0.636449  1
  P  P194  1  0.317588  0.924129  0.727936  1
  P  P195  1  0.972337  0.604441  0.646391  1
  P  P196  1  0.323028  0.856577  0.718929  1
  P  P197  1  0.623107  0.501697  0.660153  1
  P  P198  1  0.362387  0.541102  0.625910  1
  P  P199  1  0.521172  0.970707  0.630334  1
  P  P200  1  -0.007902  0.960072  0.707036  1
  P  P201  1  0.530403  0.659014  0.725993  1
  P  P202  1  0.616251  0.365228  0.643540  1
  P  P203  1  0.697542  0.122910  0.762417  1
  P  P204  1  0.293411  0.127703  0.748266  1
  P  P205  1  0.529635  0.833511  0.614902  1
  P  P206  1  0.845118  1.001726  0.659717  1
  P  P207  1  0.164624  0.559696  0.743931  1
  P  P208  1  0.205408  0.362313  0.656788  1
  P  P209  1  0.524877  0.902320  0.622490  1
  P  P210  1  0.886187  0.462508  0.693928  1
  P  P211  1  -0.002240  0.826061  0.690759  1
  P  P212  1  0.727683  0.921092  0.739545  1
  P  P213  1  0.216415  0.498226  0.673165  1
  P  P214  1  0.632035  0.570112  0.667439  1
  P  P215  1  0.210126  0.430537  0.664845  1
  P  P216  1  0.315085  0.992254  0.735620  1
  P  P217  1  0.693413  0.576652  0.605005  1
  P  P218  1  0.487624  0.526697  0.715500  1
  P  P219  1  0.147545  0.424653  0.727896  1
  P  P220  1  0.849696  0.865586  0.643540  1
  P  P221  1  0.875480  0.327668  0.677328  1
  P  P222  1  0.232136  0.133825  0.686800  1
  P  P223  1  0.580516  0.962657  0.693723  1
  P  P224  1  0.935894  0.267239  0.606093  1
  P  P225  1  0.350357  0.336011  0.601998  1
  P  P226  1  0.952917  0.537844  0.639094  1
  P  P227  1  0.471636  0.391026  0.698209  1
  P  P228  1  0.503071  0.593258  0.723439  1
  P  P229  1  0.190155  0.627014  0.749219  1
  P  P230  1  0.515753  0.038143  0.638516  1
  P  P231  1  0.503828  0.104946  0.645704  1
  P  P232  1  0.847167  0.933944  0.651732  1
  P  P233  1  0.892956  0.530337  0.701988  1
  P  P234  1  0.932414  0.663685  0.715481  1
  P  P235  1  0.408856  0.386552  0.759032  1
  P  P236  1  0.741038  0.419774  0.739695  1
  P  P237  1  0.154916  0.492206  0.736014  1
  P  P238  1  0.720623  0.988779  0.747721  1
  P  P239  1  0.940005  0.334007  0.614802  1
  P  P240  1  0.108052  0.041511  0.625090  1
  P  P241  1  0.356921  0.472733  0.617999  1
  P  P242  1  0.784353  0.623142  0.762282  1
  P  P243  1  0.583654  0.894541  0.685630  1
  P  P244  1  -0.014173  0.027775  0.714888  1
  P  P245  1  0.259037  0.931368  0.664519  1
  P  P246  1  0.907286  0.597963  0.708559  1
  P  P247  1  0.113976  0.904764  0.609972  1
  P  P248  1  0.946444  0.470097  0.630883  1
  P  P249  1  0.263094  0.862663  0.656221  1
  P  P250  1  0.951106  0.160330  0.727451  1
  P  P251  1  0.776887  0.076865  0.605169  1
  P  P252  1  0.309054  0.060371  0.743174  1
