# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.66424537
_cell_length_b   32.03359240
_cell_length_c   52.71653471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.83084548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P756
_cell_volume   69950.9623226
_cell_formula_units_Z   756
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  0.029645  0.320858  0.330061  1
  P  P2  1  0.037318  0.639759  0.280406  1
  P  P3  1  0.029609  1.003419  0.377450  1
  P  P4  1  0.019813  0.221141  0.320747  1
  P  P5  1  0.015205  0.587669  0.418081  1
  P  P6  1  0.016646  0.903362  0.369312  1
  P  P7  1  0.637962  0.160345  0.398011  1
  P  P8  1  0.638831  0.472045  0.348448  1
  P  P9  1  0.644116  0.777103  0.308519  1
  P  P10  1  0.465361  0.336175  0.416822  1
  P  P11  1  0.466743  0.645709  0.368463  1
  P  P12  1  0.467727  0.955114  0.321056  1
  P  P13  1  0.467131  0.144653  0.369175  1
  P  P14  1  0.469512  0.454413  0.321517  1
  P  P15  1  0.464301  0.836363  0.417357  1
  P  P16  1  0.032543  0.387075  0.282350  1
  P  P17  1  0.028241  0.753944  0.379153  1
  P  P18  1  0.031796  0.072891  0.331536  1
  P  P19  1  0.406214  0.312188  0.379632  1
  P  P20  1  0.406659  0.622452  0.331340  1
  P  P21  1  0.406467  0.932258  0.286562  1
  P  P22  1  0.641741  0.280686  0.304945  1
  P  P23  1  0.639350  0.661059  0.399025  1
  P  P24  1  0.641370  0.968419  0.353934  1
  P  P25  1  0.398812  0.255560  0.299153  1
  P  P26  1  0.394500  0.637611  0.393580  1
  P  P27  1  0.396970  0.947871  0.347678  1
  P  P28  1  0.393363  0.233113  0.417358  1
  P  P29  1  0.395631  0.542439  0.368988  1
  P  P30  1  0.394546  0.853228  0.322966  1
  P  P31  1  0.457228  0.375187  0.358466  1
  P  P32  1  0.458099  0.686235  0.310625  1
  P  P33  1  0.454932  0.065984  0.407110  1
  P  P34  1  0.908233  0.403775  0.358993  1
  P  P35  1  0.916807  0.717792  0.306980  1
  P  P36  1  0.905736  0.087865  0.407509  1
  P  P37  1  0.137427  0.257554  0.390206  1
  P  P38  1  0.135877  0.576738  0.339941  1
  P  P39  1  0.145261  0.924876  0.328085  1
  P  P40  1  0.850252  0.476206  0.347260  1
  P  P41  1  0.861309  0.791163  0.296152  1
  P  P42  1  0.846570  0.162041  0.397224  1
  P  P43  1  0.076055  0.465801  0.281520  1
  P  P44  1  0.137018  0.753739  0.387694  1
  P  P45  1  0.135189  0.067312  0.335472  1
  P  P46  1  0.334517  0.304857  0.404374  1
  P  P47  1  0.333634  0.708245  0.381642  1
  P  P48  1  0.337335  0.931745  0.314439  1
  P  P49  1  0.459740  0.183382  0.311175  1
  P  P50  1  0.455494  0.566165  0.406576  1
  P  P51  1  0.456438  0.875096  0.359410  1
  P  P52  1  0.589821  0.407980  0.371279  1
  P  P53  1  0.586695  0.721969  0.322926  1
  P  P54  1  0.589214  0.027249  0.277261  1
  P  P55  1  0.018961  0.471201  0.321280  1
  P  P56  1  0.015355  0.837252  0.417622  1
  P  P57  1  0.018517  0.154682  0.369778  1
  P  P58  1  0.969988  0.145914  0.321170  1
  P  P59  1  0.975734  0.463303  0.272382  1
  P  P60  1  0.967595  0.828708  0.367922  1
  P  P61  1  0.081081  0.208552  0.283140  1
  P  P62  1  0.076931  0.580279  0.379411  1
  P  P63  1  0.075381  0.892840  0.331568  1
  P  P64  1  0.030876  0.135870  0.282864  1
  P  P65  1  0.028338  0.504764  0.379185  1
  P  P66  1  0.029538  0.818081  0.328715  1
  P  P67  1  0.578795  0.231576  0.385648  1
  P  P68  1  0.579084  0.542269  0.337228  1
  P  P69  1  0.583172  0.847086  0.291771  1
  P  P70  1  0.406922  0.216572  0.356220  1
  P  P71  1  0.410348  0.525888  0.307988  1
  P  P72  1  0.403147  0.908052  0.404810  1
  P  P73  1  0.585535  0.252569  0.269276  1
  P  P74  1  0.638770  0.570090  0.369875  1
  P  P75  1  0.641528  0.875958  0.326410  1
  P  P76  1  0.579810  0.134918  0.361614  1
  P  P77  1  0.580461  0.446629  0.312293  1
  P  P78  1  0.577924  0.827150  0.409990  1
  P  P79  1  0.846196  0.409683  0.396035  1
  P  P80  1  0.854249  0.723787  0.343523  1
  P  P81  1  0.851883  0.044072  0.301369  1
  P  P82  1  0.640239  0.375615  0.326557  1
  P  P83  1  0.637510  0.690450  0.279778  1
  P  P84  1  0.639855  0.064739  0.375396  1
  P  P85  1  0.958084  0.294804  0.310057  1
  P  P86  1  0.953737  0.662775  0.408241  1
  P  P87  1  0.958477  0.979196  0.358254  1
  P  P88  1  0.897510  0.303257  0.350090  1
  P  P89  1  0.899539  0.620198  0.301190  1
  P  P90  1  0.896644  0.987341  0.397641  1
  P  P91  1  0.470721  0.357689  0.297704  1
  P  P92  1  0.465108  0.741326  0.393287  1
  P  P93  1  0.467030  0.049478  0.345689  1
  P  P94  1  0.527240  0.168544  0.406646  1
  P  P95  1  0.529069  0.478797  0.358081  1
  P  P96  1  0.526904  0.790573  0.309738  1
  P  P97  1  0.848357  0.229541  0.349437  1
  P  P98  1  0.853683  0.544877  0.301100  1
  P  P99  1  0.846319  0.913573  0.397629  1
  P  P100  1  0.079934  0.147652  0.331873  1
  P  P101  1  0.019725  0.542138  0.272988  1
  P  P102  1  0.076724  0.827559  0.379101  1
  P  P103  1  0.404259  0.407879  0.403416  1
  P  P104  1  0.405675  0.716967  0.356581  1
  P  P105  1  0.406631  0.026459  0.309279  1
  P  P106  1  0.397806  0.351448  0.321774  1
  P  P107  1  0.392316  0.733462  0.417843  1
  P  P108  1  0.394527  0.042845  0.370711  1
  P  P109  1  0.592668  0.214447  0.325188  1
  P  P110  1  0.589387  0.529685  0.278057  1
  P  P111  1  0.589257  0.906935  0.372279  1
  P  P112  1  0.456228  0.470874  0.382558  1
  P  P113  1  0.456503  0.780862  0.335192  1
  P  P114  1  0.459082  0.087913  0.288662  1
  P  P115  1  0.956690  0.478087  0.359249  1
  P  P116  1  0.958244  0.797021  0.308304  1
  P  P117  1  0.955559  0.162372  0.407664  1
  P  P118  1  0.089201  0.181351  0.389561  1
  P  P119  1  0.090722  0.497041  0.339559  1
  P  P120  1  0.094055  0.820451  0.291788  1
  P  P121  1  0.531283  0.286260  0.310628  1
  P  P122  1  0.526585  0.670010  0.406132  1
  P  P123  1  0.528316  0.978332  0.358614  1
  P  P124  1  0.015179  0.338043  0.417806  1
  P  P125  1  0.014827  0.653910  0.370014  1
  P  P126  1  0.020191  0.968849  0.318107  1
  P  P127  1  0.648620  0.335121  0.383707  1
  P  P128  1  0.648243  0.659751  0.338201  1
  P  P129  1  0.649612  0.963555  0.294485  1
  P  P130  1  0.592008  0.120452  0.300948  1
  P  P131  1  0.590021  0.503497  0.394804  1
  P  P132  1  0.589691  0.813460  0.348935  1
  P  P133  1  0.968007  0.329419  0.368610  1
  P  P134  1  0.972969  0.642825  0.317183  1
  P  P135  1  0.972358  0.961567  0.272421  1
  P  P136  1  0.898644  0.369790  0.302419  1
  P  P137  1  0.893272  0.737945  0.396908  1
  P  P138  1  0.898783  0.054107  0.349204  1
  P  P139  1  0.028242  0.254951  0.379266  1
  P  P140  1  0.030836  0.570683  0.330240  1
  P  P141  1  0.027757  0.882332  0.280735  1
  P  P142  1  0.519650  0.206553  0.348372  1
  P  P143  1  0.519042  0.517868  0.299595  1
  P  P144  1  0.517199  0.898333  0.396632  1
  P  P145  1  0.853362  0.294441  0.301991  1
  P  P146  1  0.847700  0.661666  0.395543  1
  P  P147  1  0.848141  0.982508  0.350950  1
  P  P148  1  0.969849  0.395309  0.319431  1
  P  P149  1  0.981263  0.715627  0.270669  1
  P  P150  1  0.968320  0.079543  0.368677  1
  P  P151  1  0.077069  0.330144  0.378850  1
  P  P152  1  0.075265  0.649143  0.331996  1
  P  P153  1  0.089267  0.934746  0.280574  1
  P  P154  1  0.577599  0.327638  0.409044  1
  P  P155  1  0.578480  0.639124  0.361199  1
  P  P156  1  0.580710  0.944409  0.314038  1
  P  P157  1  0.105848  0.102545  0.281057  1
  P  P158  1  0.135808  0.506740  0.388551  1
  P  P159  1  0.138072  0.825899  0.342512  1
  P  P160  1  0.347104  0.288140  0.343851  1
  P  P161  1  0.335854  0.614627  0.357250  1
  P  P162  1  0.343139  0.979549  0.390854  1
  P  P163  1  0.520767  0.421449  0.277452  1
  P  P164  1  0.517806  0.803070  0.372217  1
  P  P165  1  0.520612  0.110220  0.323867  1
  P  P166  1  0.146901  0.356473  0.398712  1
  P  P167  1  0.147798  0.673338  0.348306  1
  P  P168  1  0.135768  1.005559  0.287558  1
  P  P169  1  0.080027  0.396034  0.329526  1
  P  P170  1  0.068545  0.728122  0.281006  1
  P  P171  1  0.080616  0.078525  0.379285  1
  P  P172  1  0.905593  0.337931  0.407996  1
  P  P173  1  0.910585  0.652364  0.357818  1
  P  P174  1  0.910948  0.972880  0.310282  1
  P  P175  1  0.090865  0.246627  0.340950  1
  P  P176  1  0.092034  0.562918  0.291533  1
  P  P177  1  0.090716  0.927687  0.386569  1
  P  P178  1  0.911109  0.469362  0.309154  1
  P  P179  1  0.905196  0.838085  0.406501  1
  P  P180  1  0.907359  0.154680  0.359146  1
  P  P181  1  0.894852  0.236627  0.398538  1
  P  P182  1  0.897036  0.552040  0.350122  1
  P  P183  1  0.900046  0.872449  0.299999  1
  P  P184  1  0.412802  0.429911  0.285539  1
  P  P185  1  0.404172  0.812763  0.380402  1
  P  P186  1  0.406835  0.121224  0.332909  1
  P  P187  1  0.348491  0.193782  0.320423  1
  P  P188  1  0.343185  0.574959  0.413931  1
  P  P189  1  0.344129  0.884301  0.368421  1
  P  P190  1  0.517211  0.399199  0.395738  1
  P  P191  1  0.517379  0.709293  0.348003  1
  P  P192  1  0.519746  0.015584  0.300569  1
  P  P193  1  0.954917  0.412500  0.408092  1
  P  P194  1  0.955288  0.729568  0.359097  1
  P  P195  1  0.962890  0.045389  0.309307  1
  P  P196  1  0.836120  0.310333  0.388245  1
  P  P197  1  0.839055  0.625542  0.339304  1
  P  P198  1  0.841330  0.945251  0.296052  1
  P  P199  1  0.137971  0.322012  0.341254  1
  P  P200  1  0.125643  0.650803  0.290255  1
  P  P201  1  0.137454  1.000309  0.384443  1
  P  P202  1  0.090391  0.309682  0.293161  1
  P  P203  1  0.088229  0.680416  0.388933  1
  P  P204  1  0.088379  0.995156  0.336057  1
  P  P205  1  0.017362  0.404099  0.368758  1
  P  P206  1  0.016026  0.720971  0.322543  1
  P  P207  1  0.016695  0.087284  0.416872  1
  P  P208  1  0.532733  0.190943  0.288047  1
  P  P209  1  0.527882  0.574623  0.382141  1
  P  P210  1  0.528330  0.883141  0.335162  1
  P  P211  1  0.088559  0.430555  0.387860  1
  P  P212  1  0.091021  0.748089  0.338082  1
  P  P213  1  0.055963  0.030997  0.279884  1
  P  P214  1  0.396413  0.447027  0.345265  1
  P  P215  1  0.396345  0.757559  0.300464  1
  P  P216  1  0.393583  0.137683  0.393938  1
  P  P217  1  0.957389  0.228975  0.359107  1
  P  P218  1  0.957699  0.544649  0.310352  1
  P  P219  1  0.954906  0.912032  0.407123  1
  P  P220  1  0.909699  0.219423  0.310484  1
  P  P221  1  0.904892  0.587586  0.407479  1
  P  P222  1  0.906544  0.905471  0.357925  1
  P  P223  1  0.581671  0.349783  0.289704  1
  P  P224  1  0.579724  0.732090  0.385202  1
  P  P225  1  0.582221  0.038867  0.337531  1
  P  P226  1  0.466544  0.240164  0.393131  1
  P  P227  1  0.468103  0.550801  0.345058  1
  P  P228  1  0.466341  0.860737  0.297923  1
  P  P229  1  0.530131  0.382652  0.334495  1
  P  P230  1  0.530798  0.692719  0.287337  1
  P  P231  1  0.527808  0.073219  0.382421  1
  P  P232  1  0.893767  0.486059  0.398116  1
  P  P233  1  0.897105  0.804138  0.347934  1
  P  P234  1  0.901421  0.117463  0.301757  1
  P  P235  1  0.517879  0.303035  0.371945  1
  P  P236  1  0.519777  0.613625  0.323180  1
  P  P237  1  0.521849  0.918184  0.278478  1
  P  P238  1  0.972547  0.211077  0.274020  1
  P  P239  1  0.968159  0.578171  0.368595  1
  P  P240  1  0.969644  0.895864  0.320441  1
  P  P241  1  0.590116  0.310932  0.347823  1
  P  P242  1  0.593165  0.623022  0.301570  1
  P  P243  1  0.588036  1.002039  0.396254  1
  P  P244  1  0.346042  0.383457  0.367248  1
  P  P245  1  0.346345  0.694128  0.321199  1
  P  P246  1  0.342796  0.073787  0.416444  1
  P  P247  1  0.345190  0.479776  0.390072  1
  P  P248  1  0.344956  0.788486  0.345185  1
  P  P249  1  0.399307  0.160324  0.277134  1
  P  P250  1  0.458841  0.278805  0.334686  1
  P  P251  1  0.459892  0.591121  0.288098  1
  P  P252  1  0.456410  0.970278  0.383521  1
  P  P253  1  0.023368  0.372940  0.475869  1
  P  P254  1  0.025852  0.688247  0.427600  1
  P  P255  1  0.022675  0.056192  0.523375  1
  P  P256  1  0.013951  0.271852  0.466195  1
  P  P257  1  0.010078  0.639613  0.562995  1
  P  P258  1  0.012337  0.955214  0.514053  1
  P  P259  1  0.632439  0.232217  0.541504  1
  P  P260  1  0.635092  0.541343  0.493941  1
  P  P261  1  0.636496  0.850749  0.446883  1
  P  P262  1  0.459104  0.408795  0.559644  1
  P  P263  1  0.460796  0.717563  0.512451  1
  P  P264  1  0.462525  0.026555  0.465124  1
  P  P265  1  0.460740  0.217827  0.512337  1
  P  P266  1  0.463082  0.527203  0.464191  1
  P  P267  1  0.458092  0.908031  0.560700  1
  P  P268  1  0.026018  0.438781  0.427291  1
  P  P269  1  0.022548  0.806382  0.523801  1
  P  P270  1  0.024318  0.122417  0.475624  1
  P  P271  1  0.399433  0.384945  0.522343  1
  P  P272  1  0.401075  0.694076  0.475250  1
  P  P273  1  0.402984  1.002859  0.427928  1
  P  P274  1  0.637151  0.351853  0.444652  1
  P  P275  1  0.633651  0.733308  0.541038  1
  P  P276  1  0.634945  0.042231  0.493453  1
  P  P277  1  0.392218  0.329165  0.441246  1
  P  P278  1  0.388314  0.709801  0.537027  1
  P  P279  1  0.389166  0.019510  0.489461  1
  P  P280  1  0.387114  0.305273  0.560056  1
  P  P281  1  0.389248  0.614458  0.512477  1
  P  P282  1  0.391289  0.923262  0.465995  1
  P  P283  1  0.451240  0.447811  0.501566  1
  P  P284  1  0.452819  0.756899  0.454707  1
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  P  P628  1  1.002692  0.441075  0.707690  1
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  P  P755  1  0.448464  0.732632  0.573979  1
  P  P756  1  0.443766  0.116382  0.669483  1
