# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31433820
_cell_length_b   44.52286522
_cell_length_c   51.20348342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.96407725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   23386.5878176
_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  0.380695  0.884551  0.362939  1
  P  P2  1  0.666115  0.882079  0.337005  1
  P  P3  1  1.000028  0.524268  0.292145  1
  P  P4  1  0.499854  0.360602  0.288975  1
  P  P5  1  0.968273  0.328263  0.359853  1
  P  P6  1  0.124976  0.899296  0.326093  1
  P  P7  1  0.471187  0.260383  0.376951  1
  P  P8  1  0.469505  0.496658  0.363600  1
  P  P9  1  0.544555  0.288699  0.290860  1
  P  P10  1  0.755368  0.240292  0.397183  1
  P  P11  1  0.250344  0.308763  0.380600  1
  P  P12  1  0.174682  0.761045  0.370119  1
  P  P13  1  0.596851  0.018136  0.306072  1
  P  P14  1  0.950016  0.708653  0.354050  1
  P  P15  1  0.113682  0.989642  0.370654  1
  P  P16  1  0.527250  0.189103  0.378378  1
  P  P17  1  0.782193  0.339694  0.308284  1
  P  P18  1  1.004047  0.430679  0.273285  1
  P  P19  1  0.924525  0.867983  0.373184  1
  P  P20  1  0.894192  0.845064  0.311695  1
  P  P21  1  0.634690  0.948903  0.315965  1
  P  P22  1  0.868016  0.914141  0.290707  1
  P  P23  1  0.774729  0.474874  0.275361  1
  P  P24  1  0.737293  0.276204  0.341405  1
  P  P25  1  0.737612  0.512171  0.328499  1
  P  P26  1  0.978243  0.430027  0.383625  1
  P  P27  1  0.204381  0.692779  0.389864  1
  P  P28  1  0.209448  0.481819  0.402027  1
  P  P29  1  0.437645  0.828245  0.321168  1
  P  P30  1  0.464590  0.759897  0.344150  1
  P  P31  1  0.234991  0.343888  0.323635  1
  P  P32  1  0.932040  0.365480  0.415403  1
  P  P33  1  0.691509  0.722011  0.319404  1
  P  P34  1  0.894300  0.935057  0.351947  1
  P  P35  1  0.204799  0.243927  0.412529  1
  P  P36  1  0.285136  0.271631  0.325939  1
  P  P37  1  0.693724  0.449676  0.362393  1
  P  P38  1  0.045219  0.358007  0.274325  1
  P  P39  1  0.949674  0.799312  0.394527  1
  P  P40  1  0.831599  0.985764  0.277479  1
  P  P41  1  0.464741  0.396889  0.343651  1
  P  P42  1  0.408096  0.897571  0.299922  1
  P  P43  1  0.230176  0.481307  0.293822  1
  P  P44  1  0.959472  0.465155  0.327788  1
  P  P45  1  0.405561  0.815380  0.384694  1
  P  P46  1  0.210781  0.773984  0.307861  1
  P  P47  1  0.635882  0.870155  0.399793  1
  P  P48  1  0.748629  0.377423  0.363847  1
  P  P49  1  0.439780  0.736909  0.285532  1
  P  P50  1  0.150567  0.830051  0.348401  1
  P  P51  1  0.377009  0.968448  0.283374  1
  P  P52  1  0.512595  0.459830  0.310283  1
  P  P53  1  0.850067  0.002764  0.338535  1
  P  P54  1  0.510296  0.224373  0.322633  1
  P  P55  1  1.015096  0.393007  0.328443  1
  P  P56  1  0.307637  0.021469  0.326418  1
  P  P57  1  0.152742  0.921927  0.388071  1
  P  P58  1  0.429262  0.745686  0.406517  1
  P  P59  1  0.610275  0.940085  0.379124  1
  P  P60  1  0.921132  0.776304  0.332785  1
  P  P61  1  0.722817  0.745130  0.379703  1
  P  P62  1  1.004726  0.292534  0.304856  1
  P  P63  1  0.768110  0.244453  0.286666  1
  P  P64  1  0.280454  0.408876  0.292066  1
  P  P65  1  0.183274  0.842592  0.286771  1
  P  P66  1  0.494617  0.692134  0.365038  1
  P  P67  1  0.376189  0.976780  0.404489  1
  P  P68  1  0.351780  0.954057  0.343895  1
  P  P69  1  0.179758  0.853871  0.409599  1
  P  P70  1  0.733356  0.411732  0.307202  1
  P  P71  1  0.087229  0.969340  0.309016  1
  P  P72  1  0.020819  0.255664  0.360794  1
  P  P73  1  0.694912  0.814006  0.358030  1
  P  P74  1  0.664724  0.790497  0.297514  1
  P  P75  1  0.244440  0.444885  0.347512  1
  P  P76  1  0.702325  0.312901  0.396379  1
  P  P77  1  0.199091  0.380902  0.379590  1
  P  P78  1  0.974576  0.729576  0.415597  1
  P  P79  1  0.482190  0.361788  0.400215  1
  P  P80  1  0.638805  0.859947  0.277254  1
  P  P81  1  0.430350  0.434474  0.398912  1
  P  P82  1  0.245054  0.207738  0.358760  1
  P  P83  1  0.975024  0.192700  0.393898  1
  P  P84  1  0.517398  0.324979  0.345089  1
  P  P85  1  0.394988  0.825000  0.508330  1
  P  P86  1  0.687249  0.825353  0.481886  1
  P  P87  1  0.943429  0.466023  0.437888  1
  P  P88  1  0.435486  0.296900  0.432007  1
  P  P89  1  0.902545  0.265015  0.503553  1
  P  P90  1  0.141637  0.839779  0.472336  1
  P  P91  1  0.406337  0.196831  0.520020  1
  P  P92  1  0.407489  0.435192  0.509652  1
  P  P93  1  0.487111  0.224094  0.433157  1
  P  P94  1  0.690494  0.177219  0.540623  1
  P  P95  1  0.185439  0.245304  0.523748  1
  P  P96  1  0.188667  0.700691  0.514629  1
  P  P97  1  0.634977  0.962451  0.440193  1
  P  P98  1  0.959474  0.647844  0.499671  1
  P  P99  1  0.146017  0.933195  0.511617  1
  P  P100  1  0.466057  0.125826  0.521479  1
  P  P101  1  0.718707  0.277067  0.452521  1
  P  P102  1  0.161480  0.418068  0.434659  1
  P  P103  1  0.940427  0.810290  0.518154  1
  P  P104  1  0.911547  0.784997  0.457128  1
  P  P105  1  0.663307  0.894596  0.460653  1
  P  P106  1  0.888684  0.855018  0.436018  1
  P  P107  1  0.712485  0.414557  0.419134  1
  P  P108  1  0.672487  0.211921  0.484208  1
  P  P109  1  0.670970  0.451133  0.472664  1
  P  P110  1  0.913407  0.367295  0.526769  1
  P  P111  1  0.216998  0.632836  0.535089  1
  P  P112  1  0.143460  0.418915  0.546143  1
  P  P113  1  0.456986  0.770287  0.466951  1
  P  P114  1  0.479168  0.700965  0.487749  1
  P  P115  1  0.168939  0.280641  0.467644  1
  P  P116  1  0.866889  0.302515  0.558908  1
  P  P117  1  0.705957  0.662091  0.463664  1
  P  P118  1  0.916976  0.879610  0.496861  1
  P  P119  1  0.139489  0.180730  0.556148  1
  P  P120  1  0.221216  0.207699  0.468734  1
  P  P121  1  0.630758  0.387588  0.506548  1
  P  P122  1  0.985085  0.292772  0.416374  1
  P  P123  1  0.963290  0.740269  0.539264  1
  P  P124  1  0.865042  0.924997  0.414995  1
  P  P125  1  0.399785  0.334026  0.487182  1
  P  P126  1  0.433917  0.839757  0.445668  1
  P  P127  1  0.385917  0.469461  0.453803  1
  P  P128  1  0.895178  0.403106  0.470651  1
  P  P129  1  0.418057  0.755530  0.529614  1
  P  P130  1  0.226031  0.714922  0.451587  1
  P  P131  1  0.648686  0.810579  0.544372  1
  P  P132  1  0.683035  0.314646  0.507638  1
  P  P133  1  0.454585  0.676956  0.427002  1
  P  P134  1  0.164725  0.769934  0.493396  1
  P  P135  1  0.409070  0.908765  0.424221  1
  P  P136  1  0.445637  0.398456  0.455262  1
  P  P137  1  0.892501  0.947443  0.475610  1
  P  P138  1  0.444486  0.160095  0.465629  1
  P  P139  1  0.949430  0.330272  0.471728  1
  P  P140  1  0.348245  0.962009  0.466628  1
  P  P141  1  0.169727  0.864851  0.533152  1
  P  P142  1  0.442905  0.686522  0.551060  1
  P  P143  1  0.625944  0.880365  0.523694  1
  P  P144  1  0.934998  0.715677  0.478421  1
  P  P145  1  0.733563  0.685820  0.524260  1
  P  P146  1  0.938567  0.227992  0.448513  1
  P  P147  1  0.708514  0.176372  0.429138  1
  P  P148  1  0.215115  0.345697  0.436052  1
  P  P149  1  0.203289  0.784708  0.430909  1
  P  P150  1  0.503729  0.633278  0.508654  1
  P  P151  1  0.397389  0.918331  0.548280  1
  P  P152  1  0.372807  0.894322  0.487533  1
  P  P153  1  0.193093  0.795050  0.554292  1
  P  P154  1  0.666535  0.349983  0.451533  1
  P  P155  1  0.118411  0.909467  0.451021  1
  P  P156  1  0.956796  0.192181  0.504631  1
  P  P157  1  0.710337  0.755508  0.502946  1
  P  P158  1  0.682247  0.730436  0.442129  1
  P  P159  1  0.179487  0.383366  0.491073  1
  P  P160  1  0.636859  0.249590  0.539230  1
  P  P161  1  0.133267  0.318219  0.522761  1
  P  P162  1  0.986932  0.670290  0.560286  1
  P  P163  1  0.416488  0.298386  0.543275  1
  P  P164  1  0.658882  0.800237  0.420989  1
  P  P165  1  0.364863  0.371193  0.542124  1
  P  P166  1  0.181004  0.144154  0.502617  1
  P  P167  1  0.908545  0.129263  0.537393  1
  P  P168  1  0.452189  0.261261  0.488100  1
  P  P169  1  0.414330  0.767042  0.654113  1
  P  P170  1  0.701407  0.765236  0.626881  1
  P  P171  1  0.876950  0.402586  0.581383  1
  P  P172  1  0.369784  0.233499  0.575066  1
  P  P173  1  0.836878  0.202280  0.646838  1
  P  P174  1  0.157063  0.781281  0.617251  1
  P  P175  1  0.339379  0.135457  0.664998  1
  P  P176  1  0.341678  0.370914  0.652648  1
  P  P177  1  0.421624  0.160813  0.576370  1
  P  P178  1  0.847927  0.164608  0.701996  1
  P  P179  1  0.118619  0.183555  0.668080  1
  P  P180  1  0.217284  0.646384  0.659316  1
  P  P181  1  0.647593  0.902508  0.585417  1
  P  P182  1  1.001907  0.592523  0.636747  1
  P  P183  1  0.160465  0.873276  0.655878  1
  P  P184  1  0.621798  0.113980  0.681459  1
  P  P185  1  0.652883  0.214385  0.595692  1
  P  P186  1  0.096606  0.354995  0.578099  1
  P  P187  1  0.957782  0.750223  0.663587  1
  P  P188  1  0.927449  0.727304  0.602097  1
  P  P189  1  0.677292  0.834242  0.605163  1
  P  P190  1  0.902301  0.795975  0.580754  1
  P  P191  1  0.647175  0.351360  0.562753  1
  P  P192  1  0.607535  0.150402  0.627770  1
  P  P193  1  0.606920  0.387549  0.616522  1
  P  P194  1  0.847248  0.302752  0.670426  1
  P  P195  1  0.255123  0.577151  0.669209  1
  P  P196  1  0.083864  0.350834  0.688615  1
  P  P197  1  0.471279  0.710736  0.612342  1
  P  P198  1  0.500194  0.641230  0.631387  1
  P  P199  1  0.103345  0.217864  0.611434  1
  P  P200  1  0.806755  0.237280  0.700957  1
  P  P201  1  0.738292  0.605645  0.604627  1
  P  P202  1  0.930842  0.818983  0.642496  1
  P  P203  1  0.077245  0.120413  0.699920  1
  P  P204  1  0.158250  0.145611  0.612889  1
  P  P205  1  0.566838  0.323656  0.649343  1
  P  P206  1  0.919934  0.229807  0.559878  1
  P  P207  1  0.983958  0.681145  0.684575  1
  P  P208  1  0.877398  0.865711  0.559684  1
  P  P209  1  0.334576  0.270308  0.630192  1
  P  P210  1  0.446413  0.779906  0.590587  1
  P  P211  1  0.324724  0.406184  0.596904  1
  P  P212  1  0.831156  0.339623  0.614487  1
  P  P213  1  0.443879  0.697716  0.675360  1
  P  P214  1  0.241699  0.655201  0.596157  1
  P  P215  1  0.668700  0.752695  0.688511  1
  P  P216  1  0.616984  0.251399  0.651647  1
  P  P217  1  0.475785  0.618507  0.570793  1
  P  P218  1  0.185859  0.713208  0.638277  1
  P  P219  1  0.422713  0.849601  0.568765  1
  P  P220  1  0.380787  0.334904  0.598330  1
  P  P221  1  0.901958  0.886634  0.621231  1
  P  P222  1  0.382469  0.098629  0.611682  1
  P  P223  1  0.883701  0.267024  0.615429  1
  P  P224  1  0.357357  0.903153  0.610244  1
  P  P225  1  0.187250  0.804790  0.677767  1
  P  P226  1  0.474965  0.626839  0.691908  1
  P  P227  1  0.641194  0.821303  0.667421  1
  P  P228  1  0.957674  0.660230  0.623335  1
  P  P229  1  0.764745  0.625947  0.666266  1
  P  P230  1  0.873731  0.165260  0.591656  1
  P  P231  1  0.642526  0.113468  0.573255  1
  P  P232  1  0.149649  0.282385  0.578902  1
  P  P233  1  0.216093  0.725132  0.575488  1
  P  P234  1  0.544337  0.573818  0.648864  1
  P  P235  1  0.412194  0.858378  0.689750  1
  P  P236  1  0.387384  0.835390  0.631132  1
  P  P237  1  0.213169  0.735340  0.698027  1
  P  P238  1  0.601631  0.286524  0.594681  1
  P  P239  1  0.129157  0.850157  0.595578  1
  P  P240  1  0.892502  0.130132  0.647493  1
  P  P241  1  0.726998  0.695991  0.649189  1
  P  P242  1  0.699232  0.673360  0.587210  1
  P  P243  1  0.114681  0.319083  0.633876  1
  P  P244  1  0.571520  0.186411  0.683216  1
  P  P245  1  0.069781  0.255593  0.666997  1
  P  P246  1  0.020376  0.609523  0.697803  1
  P  P247  1  0.352120  0.234685  0.686306  1
  P  P248  1  0.672216  0.741415  0.565683  1
  P  P249  1  0.307419  0.306588  0.684421  1
  P  P250  1  0.114362  0.083116  0.646783  1
  P  P251  1  0.851946  0.071018  0.683137  1
  P  P252  1  0.387233  0.198398  0.631631  1
