# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34188806
_cell_length_b   38.18096964
_cell_length_c   55.79490229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.22471032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   17742.6148131
_cell_formula_units_Z   96
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  0.760634  0.801006  0.414772  1
  P  P2  1  0.963766  0.408589  0.289561  1
  P  P3  1  0.831161  0.944132  0.461681  1
  P  P4  1  0.033290  0.552718  0.336681  1
  P  P5  1  0.994077  0.739512  0.411358  1
  P  P6  1  0.191826  0.348524  0.286218  1
  P  P7  1  0.597718  0.005626  0.465094  1
  P  P8  1  0.799847  0.614212  0.340094  1
  P  P9  1  0.908361  0.781421  0.365122  1
  P  P10  1  0.706231  0.172835  0.490122  1
  P  P11  1  0.088122  0.180985  0.261287  1
  P  P12  1  0.885564  0.572303  0.386331  1
  P  P13  1  0.647829  0.730510  0.389360  1
  P  P14  1  0.853765  0.339769  0.264667  1
  P  P15  1  0.943965  0.014628  0.487092  1
  P  P16  1  0.146095  0.623214  0.362092  1
  P  P17  1  0.188009  0.930549  0.338502  1
  P  P18  1  0.985880  0.321963  0.463502  1
  P  P19  1  0.803523  0.032080  0.287777  1
  P  P20  1  0.605915  0.423175  0.412950  1
  P  P21  1  0.283525  0.898914  0.388085  1
  P  P22  1  0.486065  0.507573  0.263040  1
  P  P23  1  0.308270  0.846223  0.488367  1
  P  P24  1  0.510399  0.454810  0.363367  1
  P  P25  1  0.441284  0.872853  0.340713  1
  P  P26  1  0.239155  0.264266  0.465713  1
  P  P27  1  0.556133  0.088444  0.285609  1
  P  P28  1  0.352640  0.480871  0.410739  1
  P  P29  1  0.530308  0.948681  0.360048  1
  P  P30  1  0.328178  0.340094  0.485048  1
  P  P31  1  0.469315  0.014398  0.266663  1
  P  P32  1  0.263616  0.405043  0.391404  1
  P  P33  1  0.462044  0.621568  0.458922  1
  P  P34  1  0.664174  0.230154  0.333922  1
  P  P35  1  0.129751  0.123570  0.417530  1
  P  P36  1  0.329293  0.731393  0.292160  1
  P  P37  1  0.778562  0.647636  0.485440  1
  P  P38  1  0.980691  0.256223  0.360440  1
  P  P39  1  0.813233  0.097501  0.391013  1
  P  P40  1  0.020297  0.705980  0.266186  1
  P  P41  1  0.873798  0.843098  0.265064  1
  P  P42  1  0.671249  0.234399  0.390106  1
  P  P43  1  0.122675  0.119325  0.361346  1
  P  P44  1  0.920546  0.510739  0.486346  1
  P  P45  1  0.482660  0.694915  0.484505  1
  P  P46  1  0.684789  0.303501  0.359505  1
  P  P47  1  0.109135  0.050223  0.391947  1
  P  P48  1  0.309337  0.659794  0.267102  1
  P  P49  1  0.356375  0.583833  0.664772  1
  P  P50  1  0.558505  0.192419  0.539772  1
  P  P51  1  0.425900  0.727962  0.711891  1
  P  P52  1  0.629032  0.335545  0.586681  1
  P  P53  1  0.589818  0.522339  0.661358  1
  P  P54  1  0.791948  0.130926  0.536358  1
  P  P55  1  0.197840  0.788027  0.715234  1
  P  P56  1  0.395589  0.397039  0.590094  1
  P  P57  1  0.504102  0.564248  0.615122  1
  P  P58  1  0.301544  0.955566  0.740166  1
  P  P59  1  0.683434  0.963716  0.511331  1
  P  P60  1  0.481305  0.355130  0.636331  1
  P  P61  1  0.243571  0.513337  0.639360  1
  P  P62  1  0.445700  0.121924  0.514360  1
  P  P63  1  0.535900  0.796782  0.736785  1
  P  P64  1  0.741836  0.406041  0.612092  1
  P  P65  1  0.783751  0.713376  0.588502  1
  P  P66  1  0.586143  0.104471  0.713676  1
  P  P67  1  0.403786  0.814589  0.537950  1
  P  P68  1  0.201657  0.206002  0.662950  1
  P  P69  1  0.879266  0.681742  0.638085  1
  P  P70  1  0.081395  0.290328  0.513085  1
  P  P71  1  0.903600  0.628978  0.738413  1
  P  P72  1  0.106141  0.237637  0.613367  1
  P  P73  1  0.037025  0.655680  0.590713  1
  P  P74  1  0.833533  0.048108  0.715843  1
  P  P75  1  0.150511  0.872285  0.535739  1
  P  P76  1  0.948382  0.263698  0.660739  1
  P  P77  1  0.126049  0.731508  0.610048  1
  P  P78  1  0.920350  0.122154  0.734789  1
  P  P79  1  0.061487  0.796457  0.516404  1
  P  P80  1  0.859358  0.187871  0.641404  1
  P  P81  1  0.060373  0.405159  0.709293  1
  P  P82  1  0.259915  0.012981  0.583922  1
  P  P83  1  0.725492  0.906397  0.667530  1
  P  P84  1  0.927621  0.514984  0.542530  1
  P  P85  1  0.369369  0.430571  0.735267  1
  P  P86  1  0.576433  0.039050  0.610440  1
  P  P87  1  0.408974  0.880329  0.641013  1
  P  P88  1  0.611104  0.488915  0.516013  1
  P  P89  1  0.469119  0.625812  0.515106  1
  P  P90  1  0.266990  0.017226  0.640106  1
  P  P91  1  0.718417  0.902152  0.611346  1
  P  P92  1  0.515868  0.293453  0.736388  1
  P  P93  1  0.080329  0.476757  0.734350  1
  P  P94  1  0.280530  0.086328  0.609505  1
  P  P95  1  0.704877  0.833050  0.641947  1
  P  P96  1  0.907006  0.441637  0.516947  1
