# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.70748391
_cell_length_b   16.86827044
_cell_length_c   49.84062427
_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   P168
_cell_volume   9842.77592538
_cell_formula_units_Z   168
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  1.111566  0.475350  0.319620  1
  P  P2  1  0.213039  0.153573  0.282822  1
  P  P3  1  0.200233  0.826871  0.270528  1
  P  P4  1  0.379703  0.484951  0.303762  1
  P  P5  1  0.482384  0.163812  0.269005  1
  P  P6  1  0.470533  0.831912  0.255809  1
  P  P7  1  0.795356  0.321640  0.293271  1
  P  P8  1  0.782971  0.990979  0.281123  1
  P  P9  1  0.816628  0.647916  0.306220  1
  P  P10  1  1.063966  0.322977  0.278421  1
  P  P11  1  1.053800  0.994559  0.266084  1
  P  P12  1  1.084346  0.653382  0.290263  1
  P  P13  1  0.649291  0.491632  0.288232  1
  P  P14  1  0.677431  0.145702  0.314075  1
  P  P15  1  0.663727  0.817971  0.301814  1
  P  P16  1  0.920532  0.492916  0.273728  1
  P  P17  1  0.944752  0.150425  0.297796  1
  P  P18  1  0.931260  0.822808  0.285591  1
  P  P19  1  0.260259  0.306253  0.324022  1
  P  P20  1  0.246423  0.977900  0.311880  1
  P  P21  1  0.355265  0.663121  0.275239  1
  P  P22  1  0.527213  0.315809  0.308661  1
  P  P23  1  0.512892  0.986098  0.295771  1
  P  P24  1  0.624115  0.669752  0.260363  1
  P  P25  1  1.034961  0.449776  0.383262  1
  P  P26  1  0.138824  0.131405  0.345616  1
  P  P27  1  1.124393  0.802937  0.332954  1
  P  P28  1  0.303869  0.456110  0.367025  1
  P  P29  1  0.408354  0.138341  0.330443  1
  P  P30  1  0.394610  0.810425  0.317798  1
  P  P31  1  0.720966  0.294554  0.356414  1
  P  P32  1  0.706577  0.967063  0.343764  1
  P  P33  1  0.738131  0.622308  0.369959  1
  P  P34  1  0.990133  0.300182  0.340449  1
  P  P35  1  0.976150  0.972141  0.327910  1
  P  P36  1  1.007164  0.628069  0.353820  1
  P  P37  1  0.572483  0.463473  0.351223  1
  P  P38  1  0.601919  0.119480  0.377898  1
  P  P39  1  0.587791  0.791360  0.365345  1
  P  P40  1  0.841770  0.469317  0.335662  1
  P  P41  1  0.870449  0.125565  0.361638  1
  P  P42  1  0.856218  0.797287  0.349039  1
  P  P43  1  0.184098  0.281090  0.388001  1
  P  P44  1  0.169701  0.952860  0.375459  1
  P  P45  1  0.275839  0.635292  0.338095  1
  P  P46  1  0.452703  0.288190  0.372285  1
  P  P47  1  0.438730  0.960050  0.359717  1
  P  P48  1  0.546186  0.642750  0.322471  1
  P  P49  1  0.959047  0.424179  0.446941  1
  P  P50  1  1.063900  0.105937  0.409457  1
  P  P51  1  1.049494  0.777567  0.396710  1
  P  P52  1  0.228031  0.430437  0.430916  1
  P  P53  1  0.332478  0.112459  0.393770  1
  P  P54  1  0.318235  0.784264  0.381012  1
  P  P55  1  0.646153  0.268680  0.420203  1
  P  P56  1  0.631840  0.940651  0.407512  1
  P  P57  1  0.661591  0.596308  0.433627  1
  P  P58  1  0.915011  0.274882  0.404178  1
  P  P59  1  0.900493  0.946760  0.391459  1
  P  P60  1  0.930692  0.602614  0.417676  1
  P  P61  1  0.496804  0.437250  0.415023  1
  P  P62  1  0.526158  0.093204  0.441461  1
  P  P63  1  0.511744  0.764940  0.428717  1
  P  P64  1  0.765695  0.443661  0.399212  1
  P  P65  1  0.795333  0.099755  0.425482  1
  P  P66  1  0.780942  0.771492  0.412796  1
  P  P67  1  1.108513  0.255458  0.451873  1
  P  P68  1  1.093959  0.927229  0.439116  1
  P  P69  1  0.199580  0.608796  0.401747  1
  P  P70  1  0.377247  0.261975  0.436012  1
  P  P71  1  0.362845  0.933768  0.423322  1
  P  P72  1  0.468556  0.615700  0.385897  1
  P  P73  1  0.883262  0.398387  0.510635  1
  P  P74  1  0.988617  0.080214  0.473225  1
  P  P75  1  0.974100  0.751947  0.460467  1
  P  P76  1  0.152170  0.404843  0.494696  1
  P  P77  1  0.257186  0.086557  0.457363  1
  P  P78  1  0.242703  0.758283  0.444552  1
  P  P79  1  0.570593  0.242563  0.483814  1
  P  P80  1  0.556134  0.914370  0.471081  1
  P  P81  1  0.585721  0.570253  0.497308  1
  P  P82  1  0.839674  0.249114  0.467900  1
  P  P83  1  0.825204  0.920949  0.455133  1
  P  P84  1  0.854696  0.576848  0.481421  1
  P  P85  1  0.421074  0.411202  0.478766  1
  P  P86  1  0.450566  0.067101  0.505054  1
  P  P87  1  0.436095  0.738936  0.492287  1
  P  P88  1  0.690048  0.417797  0.462879  1
  P  P89  1  0.719636  0.073680  0.489106  1
  P  P90  1  0.705176  0.745488  0.476373  1
  P  P91  1  1.033066  0.229768  0.515635  1
  P  P92  1  1.018583  0.901494  0.502824  1
  P  P93  1  1.123599  0.583207  0.465491  1
  P  P94  1  0.301669  0.236103  0.499720  1
  P  P95  1  0.287153  0.907836  0.486962  1
  P  P96  1  0.392508  0.589664  0.449552  1
  P  P97  1  0.807214  0.372351  0.574291  1
  P  P98  1  0.912924  0.054282  0.536865  1
  P  P99  1  0.898523  0.726076  0.524175  1
  P  P100  1  1.076190  0.379254  0.558441  1
  P  P101  1  0.181810  0.060821  0.521071  1
  P  P102  1  0.167257  0.732592  0.508315  1
  P  P103  1  0.494828  0.216558  0.547391  1
  P  P104  1  0.480436  0.888295  0.534705  1
  P  P105  1  0.510074  0.544390  0.560975  1
  P  P106  1  0.764025  0.223110  0.531470  1
  P  P107  1  0.749612  0.894847  0.518726  1
  P  P108  1  0.778966  0.550800  0.545164  1
  P  P109  1  0.345078  0.385436  0.542511  1
  P  P110  1  0.375276  0.041291  0.568728  1
  P  P111  1  0.360758  0.713169  0.556009  1
  P  P112  1  0.614178  0.391742  0.526560  1
  P  P113  1  0.643930  0.047399  0.552675  1
  P  P114  1  0.629617  0.719371  0.539985  1
  P  P115  1  0.957535  0.203787  0.579176  1
  P  P116  1  0.943292  0.875592  0.566417  1
  P  P117  1  1.047739  0.557614  0.529271  1
  P  P118  1  0.226276  0.210483  0.563477  1
  P  P119  1  0.211870  0.882113  0.550730  1
  P  P120  1  0.316722  0.563871  0.513246  1
  P  P121  1  0.729584  0.345300  0.637716  1
  P  P122  1  0.837039  0.028000  0.600470  1
  P  P123  1  0.823066  0.699860  0.587903  1
  P  P124  1  0.999931  0.352759  0.622092  1
  P  P125  1  1.106068  0.035191  0.584728  1
  P  P126  1  1.091672  0.706961  0.572186  1
  P  P127  1  0.419552  0.190763  0.611148  1
  P  P128  1  0.405321  0.862485  0.598549  1
  P  P129  1  0.434000  0.518734  0.624525  1
  P  P130  1  0.687979  0.196691  0.594842  1
  P  P131  1  0.673851  0.868570  0.582289  1
  P  P132  1  0.703287  0.524577  0.608964  1
  P  P133  1  0.268605  0.359981  0.606367  1
  P  P134  1  0.299620  0.015909  0.632277  1
  P  P135  1  0.285637  0.687868  0.619738  1
  P  P136  1  0.537639  0.365742  0.590228  1
  P  P137  1  0.569192  0.020987  0.616423  1
  P  P138  1  0.554804  0.693497  0.603773  1
  P  P139  1  0.881159  0.177625  0.642389  1
  P  P140  1  0.867415  0.849709  0.629744  1
  P  P141  1  0.971901  0.531941  0.593162  1
  P  P142  1  0.151377  0.185114  0.627233  1
  P  P143  1  1.136946  0.856646  0.614571  1
  P  P144  1  0.240809  0.538274  0.576925  1
  P  P145  1  0.651654  0.318299  0.699824  1
  P  P146  1  0.762878  1.001952  0.664417  1
  P  P147  1  0.748557  0.672241  0.651526  1
  P  P148  1  0.920505  0.324929  0.684948  1
  P  P149  1  1.029347  1.010151  0.648307  1
  P  P150  1  1.015511  0.681797  0.636166  1
  P  P151  1  0.344509  0.165243  0.674596  1
  P  P152  1  0.331018  0.837626  0.662391  1
  P  P153  1  0.355237  0.495134  0.686460  1
  P  P154  1  0.612043  0.170080  0.658373  1
  P  P155  1  0.598338  0.842348  0.646112  1
  P  P156  1  0.626479  0.496419  0.671955  1
  P  P157  1  0.191423  0.334668  0.669924  1
  P  P158  1  0.221970  0.993492  0.694103  1
  P  P159  1  0.211804  0.665073  0.681767  1
  P  P160  1  0.459142  0.340134  0.653967  1
  P  P161  1  0.492798  0.997072  0.679065  1
  P  P162  1  0.480414  0.666410  0.666916  1
  P  P163  1  0.805237  0.156138  0.704378  1
  P  P164  1  0.793386  0.824239  0.691182  1
  P  P165  1  0.896066  0.503099  0.656426  1
  P  P166  1  1.075536  0.161179  0.689660  1
  P  P167  1  1.062731  0.834477  0.677366  1
  P  P168  1  0.164204  0.512700  0.640567  1
