# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84130804
_cell_length_b   84.51420654
_cell_length_c   49.67187865
_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   P336
_cell_volume   32917.6496971
_cell_formula_units_Z   336
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  0.351273  0.450391  0.321941  1
  P  P2  1  0.377888  0.931882  0.420663  1
  P  P3  1  0.554778  0.432435  0.463802  1
  P  P4  1  0.521144  0.945576  0.362133  1
  P  P5  1  0.169170  0.136792  0.359077  1
  P  P6  1  0.131451  0.621545  0.456805  1
  P  P7  1  0.836863  0.205606  0.474927  1
  P  P8  1  0.867118  0.720169  0.374337  1
  P  P9  1  0.366626  0.220076  0.374934  1
  P  P10  1  0.338904  0.705953  0.474742  1
  P  P11  1  0.611337  0.441444  0.370240  1
  P  P12  1  0.643297  0.924805  0.471347  1
  P  P13  1  0.103147  0.235932  0.478239  1
  P  P14  1  0.135158  0.750302  0.377988  1
  P  P15  1  0.633670  0.121030  0.457403  1
  P  P16  1  0.661852  0.635844  0.358031  1
  P  P17  1  0.691444  0.242598  0.470646  1
  P  P18  1  0.714617  0.756120  0.369729  1
  P  P19  1  0.959516  0.249565  0.419785  1
  P  P20  1  -0.013680  0.764068  0.321725  1
  P  P21  1  0.160730  0.204903  0.517715  1
  P  P22  1  0.191562  0.719224  0.416590  1
  P  P23  1  0.117543  0.985552  0.477552  1
  P  P24  1  0.081337  0.501875  0.379793  1
  P  P25  1  0.074760  0.372114  0.455750  1
  P  P26  1  0.040182  0.885597  0.360049  1
  P  P27  1  0.012691  0.038793  0.345732  1
  P  P28  1  0.088615  0.524062  0.433567  1
  P  P29  1  0.542546  0.388823  0.357749  1
  P  P30  1  0.583073  0.870977  0.458270  1
  P  P31  1  0.958221  0.272167  0.472903  1
  P  P32  1  0.972294  0.785887  0.375399  1
  P  P33  1  0.692472  0.219102  0.416803  1
  P  P34  1  0.661095  0.705029  0.517390  1
  P  P35  1  0.041233  0.137577  0.518645  1
  P  P36  1  0.071968  0.652404  0.418384  1
  P  P37  1  0.287181  0.440287  0.413084  1
  P  P38  1  0.320988  0.924275  0.514327  1
  P  P39  1  0.600588  0.979345  0.326075  1
  P  P40  1  0.612873  0.464085  0.425112  1
  P  P41  1  0.819289  0.402209  0.459340  1
  P  P42  1  0.784744  0.915679  0.359693  1
  P  P43  1  0.878298  0.433613  0.420363  1
  P  P44  1  0.844124  0.947297  0.322084  1
  P  P45  1  0.162835  0.158694  0.410692  1
  P  P46  1  0.131757  0.643959  0.510591  1
  P  P47  1  0.368041  0.243539  0.428384  1
  P  P48  1  0.395049  0.757482  0.327490  1
  P  P49  1  0.906368  0.128394  0.407919  1
  P  P50  1  0.874450  0.613938  0.508372  1
  P  P51  1  0.428921  0.166151  0.359359  1
  P  P52  1  0.397001  0.651227  0.460422  1
  P  P53  1  0.873768  0.016326  0.477518  1
  P  P54  1  0.828991  0.531751  0.382450  1
  P  P55  1  0.365568  0.113860  0.507469  1
  P  P56  1  0.396311  0.628382  0.407144  1
  P  P57  1  0.519609  0.968871  0.416726  1
  P  P58  1  0.557225  0.455059  0.518460  1
  P  P59  1  0.250484  0.999819  0.419878  1
  P  P60  1  0.487477  0.487168  0.318810  1
  P  P61  1  0.617669  0.228481  0.325134  1
  P  P62  1  0.603305  0.713206  0.424130  1
  P  P63  1  0.101910  0.189261  0.370461  1
  P  P64  1  0.073021  0.675400  0.471463  1
  P  P65  1  0.327775  0.030312  0.381272  1
  P  P66  1  0.351522  0.516582  0.484153  1
  P  P67  1  0.550332  0.410460  0.409640  1
  P  P68  1  0.583407  0.893970  0.511360  1
  P  P69  1  0.902600  0.256893  0.327227  1
  P  P70  1  0.868952  0.743902  0.427951  1
  P  P71  1  0.503412  0.266174  0.324162  1
  P  P72  1  0.455811  0.749790  0.420085  1
  P  P73  1  0.571960  0.151490  0.416951  1
  P  P74  1  0.542999  0.637328  0.518361  1
  P  P75  1  0.956348  0.225992  0.365601  1
  P  P76  1  0.926212  0.712265  0.466773  1
  P  P77  1  0.057374  0.954983  0.517386  1
  P  P78  1  0.022587  0.470566  0.417883  1
  P  P79  1  0.142263  0.402871  0.415645  1
  P  P80  1  0.173610  0.886908  0.519572  1
  P  P81  1  0.570848  0.175054  0.471199  1
  P  P82  1  0.601589  0.689283  0.370576  1
  P  P83  1  0.821914  0.424622  0.513917  1
  P  P84  1  0.786419  0.938248  0.413305  1
  P  P85  1  0.040551  0.114956  0.466002  1
  P  P86  1  0.061538  0.629285  0.368305  1
  P  P87  1  0.838614  0.159037  0.368008  1
  P  P88  1  0.806935  0.644555  0.468349  1
  P  P89  1  0.113138  0.962377  0.423785  1
  P  P90  1  0.081304  0.479906  0.325154  1
  P  P91  1  0.527013  0.992714  0.470168  1
  P  P92  1  0.495294  0.508917  0.373448  1
  P  P93  1  0.144963  0.425662  0.470409  1
  P  P94  1  0.111387  0.938760  0.370107  1
  P  P95  1  0.427147  0.188642  0.413053  1
  P  P96  1  0.397049  0.674395  0.514042  1
  P  P97  1  0.577384  0.023538  0.432660  1
  P  P98  1  0.555420  0.538374  0.334197  1
  P  P99  1  0.380385  0.955399  0.474594  1
  P  P100  1  0.345455  0.472063  0.375347  1
  P  P101  1  0.086252  0.394309  0.509355  1
  P  P102  1  0.051930  0.908277  0.410995  1
  P  P103  1  0.893917  0.151278  0.460435  1
  P  P104  1  0.925283  0.665573  0.359153  1
  P  P105  1  0.807925  0.380443  0.405858  1
  P  P106  1  0.843786  0.864193  0.509285  1
  P  P107  1  0.365387  0.266295  0.481236  1
  P  P108  1  0.389099  0.780480  0.379820  1
  P  P109  1  0.691014  0.196176  0.362335  1
  P  P110  1  0.662089  0.681630  0.463456  1
  P  P111  1  0.938005  0.357904  0.512919  1
  P  P112  1  0.909181  0.871544  0.417033  1
  P  P113  1  0.284839  0.418357  0.358612  1
  P  P114  1  0.318247  0.900776  0.460916  1
  P  P115  1  0.845656  0.992748  0.427593  1
  P  P116  1  0.816131  0.509676  0.329281  1
  P  P117  1  0.407418  0.395019  0.466091  1
  P  P118  1  0.374033  0.908477  0.367989  1
  P  P119  1  0.308645  0.008221  0.328815  1
  P  P120  1  0.348730  0.494355  0.430175  1
  P  P121  1  -0.011042  1.003935  0.367251  1
  P  P122  1  0.025818  0.493264  0.472459  1
  P  P123  1  0.636350  0.250180  0.378560  1
  P  P124  1  0.603378  0.736402  0.478158  1
  P  P125  1  0.635530  0.273389  0.431306  1
  P  P126  1  0.662150  0.786952  0.332050  1
  P  P127  1  0.894125  0.174303  0.514288  1
  P  P128  1  0.925632  0.688816  0.412799  1
  P  P129  1  0.789771  0.961865  0.466892  1
  P  P130  1  0.756507  0.478266  0.367438  1
  P  P131  1  0.965648  0.029310  0.414045  1
  P  P132  1  0.225639  0.516635  0.324583  1
  P  P133  1  0.345742  0.364129  0.505495  1
  P  P134  1  0.314522  0.877975  0.408040  1
  P  P135  1  0.673606  0.387479  0.516331  1
  P  P136  1  0.642551  0.901215  0.417439  1
  P  P137  1  0.022204  0.448106  0.362707  1
  P  P138  1  0.055225  0.931491  0.463983  1
  P  P139  1  0.835990  0.182328  0.420716  1
  P  P140  1  0.863588  0.697414  0.322476  1
  P  P141  1  0.874111  0.411072  0.366778  1
  P  P142  1  0.908617  0.894408  0.469173  1
  P  P143  1  0.223004  0.256359  0.369580  1
  P  P144  1  0.192125  0.742739  0.470425  1
  P  P145  1  0.263211  0.975553  0.365387  1
  P  P146  1  0.290707  0.462797  0.468143  1
  P  P147  1  0.579164  1.000493  0.379644  1
  P  P148  1  0.616020  0.486690  0.479962  1
  P  P149  1  0.630294  0.143681  0.510658  1
  P  P150  1  0.662849  0.658205  0.410078  1
  P  P151  1  0.102507  0.212736  0.424280  1
  P  P152  1  0.124460  0.727608  0.324611  1
  P  P153  1  0.363865  0.197791  0.322512  1
  P  P154  1  0.339013  0.682566  0.420825  1
  P  P155  1  0.700812  0.017587  0.325466  1
  P  P156  1  0.760424  0.501178  0.422531  1
  P  P157  1  0.160338  0.181639  0.464007  1
  P  P158  1  0.189491  0.695842  0.362478  1
  P  P159  1  0.844483  0.968876  0.374882  1
  P  P160  1  0.879399  0.456182  0.475236  1
  P  P161  1  0.307602  0.144545  0.467877  1
  P  P162  1  0.335405  0.658928  0.367787  1
  P  P163  1  0.160224  0.286474  0.331442  1
  P  P164  1  0.132790  0.773586  0.431560  1
  P  P165  1  0.891269  0.279798  0.379291  1
  P  P166  1  0.867824  0.766049  0.481909  1
  P  P167  1  0.426423  0.212043  0.467097  1
  P  P168  1  0.454229  0.725889  0.365556  1
  P  P169  1  0.410792  0.417899  0.520805  1
  P  P170  1  0.448408  0.904086  0.622539  1
  P  P171  1  0.622562  0.400894  0.663917  1
  P  P172  1  0.587632  0.917559  0.564670  1
  P  P173  1  0.100193  0.106908  0.557355  1
  P  P174  1  0.076748  0.593160  0.659973  1
  P  P175  1  0.778526  0.177116  0.676787  1
  P  P176  1  0.807679  0.691319  0.575258  1
  P  P177  1  0.305928  0.191328  0.575808  1
  P  P178  1  0.277003  0.676782  0.676930  1
  P  P179  1  0.677310  0.410161  0.571122  1
  P  P180  1  0.704806  0.897405  0.673878  1
  P  P181  1  0.042734  0.207385  0.680111  1
  P  P182  1  0.074100  0.721680  0.578830  1
  P  P183  1  0.578918  0.092478  0.659444  1
  P  P184  1  0.602630  0.606663  0.558028  1
  P  P185  1  0.632612  0.214030  0.671478  1
  P  P186  1  0.660415  0.728412  0.571388  1
  P  P187  1  0.896049  0.220554  0.620880  1
  P  P188  1  0.926784  0.735381  0.520620  1
  P  P189  1  0.104429  0.175544  0.716789  1
  P  P190  1  0.132027  0.690630  0.618549  1
  P  P191  1  0.183273  0.957278  0.679571  1
  P  P192  1  0.148729  0.470749  0.579925  1
  P  P193  1  0.139026  0.341207  0.656814  1
  P  P194  1  0.094249  0.856632  0.561747  1
  P  P195  1  0.124231  0.008764  0.529980  1
  P  P196  1  0.160092  0.492515  0.633406  1
  P  P197  1  0.616495  0.356376  0.555111  1
  P  P198  1  0.640242  0.842645  0.657993  1
  P  P199  1  0.906479  0.243672  0.670960  1
  P  P200  1  0.927466  0.758001  0.573263  1
  P  P201  1  0.629004  0.190392  0.618440  1
  P  P202  1  0.604152  0.675167  0.716753  1
  P  P203  1  0.981697  0.108890  0.717540  1
  P  P204  1  0.008501  0.623393  0.619480  1
  P  P205  1  0.355144  0.408873  0.614153  1
  P  P206  1  0.367429  0.893613  0.713190  1
  P  P207  1  0.647029  0.948682  0.524938  1
  P  P208  1  0.680836  0.432671  0.626181  1
  P  P209  1  0.886680  0.371083  0.659472  1
  P  P210  1  0.850474  0.887405  0.561713  1
  P  P211  1  0.945430  0.402392  0.621382  1
  P  P212  1  0.910643  0.917975  0.521879  1
  P  P213  1  0.099065  0.129056  0.611314  1
  P  P214  1  0.065417  0.616065  0.712038  1
  P  P215  1  0.305168  0.214752  0.629187  1
  P  P216  1  0.337723  0.729277  0.528606  1
  P  P217  1  0.835227  0.099372  0.607705  1
  P  P218  1  0.807793  0.586484  0.707823  1
  P  P219  1  0.364639  0.136556  0.561107  1
  P  P220  1  0.331667  0.622778  0.660705  1
  P  P221  1  0.927835  0.987361  0.679215  1
  P  P222  1  0.893257  0.500844  0.583514  1
  P  P223  1  0.305867  0.086005  0.707215  1
  P  P224  1  0.332487  0.599568  0.607958  1
  P  P225  1  0.590129  0.941076  0.618602  1
  P  P226  1  0.616744  0.422567  0.717324  1
  P  P227  1  0.325466  0.971742  0.621826  1
  P  P228  1  0.294411  0.485479  0.522934  1
  P  P229  1  0.570968  0.198563  0.525223  1
  P  P230  1  0.540870  0.684315  0.626212  1
  P  P231  1  0.041805  0.160693  0.572492  1
  P  P232  1  0.011669  0.646966  0.673663  1
  P  P233  1  0.384944  1.001981  0.580995  1
  P  P234  1  0.425471  0.484135  0.681516  1
  P  P235  1  0.619287  0.378603  0.609090  1
  P  P236  1  0.659372  0.864737  0.710450  1
  P  P237  1  0.836260  0.228999  0.528674  1
  P  P238  1  0.805182  0.714263  0.628573  1
  P  P239  1  0.425018  0.235630  0.520904  1
  P  P240  1  0.396057  0.721467  0.622314  1
  P  P241  1  0.512206  0.123168  0.619180  1
  P  P242  1  0.464605  0.606784  0.715103  1
  P  P243  1  0.894996  0.197558  0.567802  1
  P  P244  1  0.866107  0.683696  0.668804  1
  P  P245  1  0.123893  0.925661  0.717181  1
  P  P246  1  0.089719  0.439345  0.618902  1
  P  P247  1  0.207593  0.371780  0.616734  1
  P  P248  1  0.267205  0.855370  0.713798  1
  P  P249  1  0.513788  0.147069  0.673708  1
  P  P250  1  0.541594  0.660915  0.572168  1
  P  P251  1  0.886713  0.393051  0.714111  1
  P  P252  1  0.854879  0.910581  0.615480  1
  P  P253  1  -0.004277  0.087070  0.663866  1
  P  P254  1  0.009796  0.600791  0.566362  1
  P  P255  1  0.775892  0.130219  0.568840  1
  P  P256  1  0.745013  0.616599  0.669685  1
  P  P257  1  0.181598  0.934710  0.625960  1
  P  P258  1  0.146103  0.448336  0.525347  1
  P  P259  1  0.593984  0.964481  0.671276  1
  P  P260  1  0.560599  0.477938  0.573173  1
  P  P261  1  0.211510  0.394691  0.671826  1
  P  P262  1  0.178246  0.911093  0.572373  1
  P  P263  1  0.364712  0.159751  0.615134  1
  P  P264  1  0.350348  0.644476  0.714131  1
  P  P265  1  0.653495  0.994983  0.631225  1
  P  P266  1  0.622275  0.508829  0.533770  1
  P  P267  1  0.446873  0.927382  0.677132  1
  P  P268  1  0.413239  0.440523  0.575463  1
  P  P269  1  0.151886  0.363282  0.709984  1
  P  P270  1  0.122361  0.880209  0.611672  1
  P  P271  1  0.832859  0.122656  0.661277  1
  P  P272  1  0.864870  0.637026  0.561025  1
  P  P273  1  0.879402  0.348896  0.605697  1
  P  P274  1  0.955326  0.834164  0.693533  1
  P  P275  1  0.306165  0.237113  0.681233  1
  P  P276  1  0.334348  0.751928  0.581862  1
  P  P277  1  0.629113  0.167005  0.564522  1
  P  P278  1  0.601391  0.652882  0.664331  1
  P  P279  1  0.742378  0.356322  0.714682  1
  P  P280  1  0.002369  0.843648  0.625220  1
  P  P281  1  0.351997  0.386268  0.559303  1
  P  P282  1  0.388853  0.872465  0.659620  1
  P  P283  1  0.916087  0.964681  0.628270  1
  P  P284  1  0.881765  0.478648  0.529910  1
  P  P285  1  0.472723  0.364041  0.665817  1
  P  P286  1  0.441004  0.880244  0.569096  1
  P  P287  1  0.384610  0.978988  0.527905  1
  P  P288  1  0.417685  0.462498  0.629625  1
  P  P289  1  0.059400  0.978549  0.570092  1
  P  P290  1  0.093906  0.461886  0.672486  1
  P  P291  1  0.571016  0.221731  0.578842  1
  P  P292  1  0.539096  0.706806  0.679906  1
  P  P293  1  0.571706  0.244575  0.632121  1
  P  P294  1  0.602449  0.759098  0.531796  1
  P  P295  1  0.843557  0.145350  0.714653  1
  P  P296  1  0.865510  0.660221  0.614985  1
  P  P297  1  0.856630  0.934198  0.669158  1
  P  P298  1  0.823054  0.447296  0.568856  1
  P  P299  1  0.058836  1.001414  0.622232  1
  P  P300  1  0.030012  0.515053  0.526346  1
  P  P301  1  0.412597  0.334584  0.705068  1
  P  P302  1  0.390633  0.849420  0.606605  1
  P  P303  1  0.480540  0.385790  0.720455  1
  P  P304  1  0.717533  0.873138  0.619387  1
  P  P305  1  0.088618  0.416775  0.564029  1
  P  P306  1  0.123534  0.904082  0.664382  1
  P  P307  1  0.776455  0.153734  0.622674  1
  P  P308  1  0.807287  0.668055  0.521550  1
  P  P309  1  0.942199  0.379694  0.566806  1
  P  P310  1  0.979059  0.869023  0.672014  1
  P  P311  1  0.161082  0.228403  0.570915  1
  P  P312  1  0.129404  0.713921  0.671257  1
  P  P313  1  0.324720  0.948153  0.567918  1
  P  P314  1  0.356680  0.431514  0.669025  1
  P  P315  1  0.649770  0.972182  0.578349  1
  P  P316  1  0.683178  0.454601  0.680653  1
  P  P317  1  0.572968  0.115476  0.711775  1
  P  P318  1  0.599976  0.629419  0.610880  1
  P  P319  1  0.042385  0.184142  0.626466  1
  P  P320  1  0.073892  0.698654  0.524977  1
  P  P321  1  0.306922  0.167928  0.521875  1
  P  P322  1  0.275545  0.653855  0.622462  1
  P  P323  1  0.794407  0.986050  0.519693  1
  P  P324  1  0.825754  0.470087  0.623620  1
  P  P325  1  0.100899  0.152789  0.664928  1
  P  P326  1  0.131154  0.667352  0.564338  1
  P  P327  1  0.912792  0.941467  0.575281  1
  P  P328  1  0.945813  0.424852  0.676558  1
  P  P329  1  0.253400  0.116837  0.669536  1
  P  P330  1  0.276573  0.630360  0.568619  1
  P  P331  1  0.093567  0.259020  0.530893  1
  P  P332  1  0.061649  0.744564  0.631345  1
  P  P333  1  0.836566  0.251413  0.582460  1
  P  P334  1  0.798847  0.736166  0.680188  1
  P  P335  1  0.366428  0.183675  0.668689  1
  P  P336  1  0.397169  0.697904  0.568065  1
