# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54287786
_cell_length_b   13.38284934
_cell_length_c   47.49103187
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P108
_cell_volume   6163.73610119
_cell_formula_units_Z   108
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  0.737744  0.260712  0.313339  1
  P  P2  1  0.245134  0.275055  0.316359  1
  P  P3  1  0.173995  0.640158  0.297103  1
  P  P4  1  0.608836  1.001329  0.284594  1
  P  P5  1  0.682386  0.640601  0.296391  1
  P  P6  1  0.802807  0.905601  0.329123  1
  P  P7  1  0.418252  0.135952  0.297503  1
  P  P8  1  0.933427  0.135902  0.297370  1
  P  P9  1  0.856494  0.496451  0.282867  1
  P  P10  1  0.993170  0.772068  0.314716  1
  P  P11  1  0.359941  0.503707  0.283003  1
  P  P12  1  0.489086  0.761568  0.313963  1
  P  P13  1  0.442558  0.180853  0.362948  1
  P  P14  1  0.950911  0.179561  0.362808  1
  P  P15  1  0.878507  0.542380  0.347612  1
  P  P16  1  0.317039  0.904373  0.328455  1
  P  P17  1  0.374659  0.537371  0.348139  1
  P  P18  1  0.512172  0.810621  0.380476  1
  P  P19  1  0.126150  0.036659  0.343664  1
  P  P20  1  0.627420  0.042457  0.349527  1
  P  P21  1  0.565521  0.408190  0.327208  1
  P  P22  1  0.696127  0.678724  0.362780  1
  P  P23  1  0.056387  0.406972  0.327306  1
  P  P24  1  0.195854  0.679993  0.363452  1
  P  P25  1  0.147133  0.082067  0.412011  1
  P  P26  1  0.648325  0.087631  0.415381  1
  P  P27  1  0.583157  0.450549  0.395661  1
  P  P28  1  0.012836  0.815824  0.380697  1
  P  P29  1  0.078967  0.450246  0.395720  1
  P  P30  1  0.216832  0.723853  0.430454  1
  P  P31  1  0.828568  0.951469  0.396521  1
  P  P32  1  0.333443  0.950270  0.395641  1
  P  P33  1  0.263041  0.314309  0.382492  1
  P  P34  1  0.396928  0.584105  0.414330  1
  P  P35  1  0.762040  0.311126  0.379704  1
  P  P36  1  0.899269  0.586486  0.414059  1
  P  P37  1  0.850587  0.995664  0.464051  1
  P  P38  1  0.352830  0.993680  0.462847  1
  P  P39  1  0.284067  0.359307  0.448543  1
  P  P40  1  0.716519  0.722450  0.429682  1
  P  P41  1  0.783139  0.356598  0.446563  1
  P  P42  1  0.920215  0.630889  0.480655  1
  P  P43  1  0.534379  0.856815  0.447096  1
  P  P44  1  0.032907  0.858895  0.447356  1
  P  P45  1  0.969291  0.222521  0.429912  1
  P  P46  1  0.100189  0.494572  0.463457  1
  P  P47  1  0.463698  0.223493  0.430111  1
  P  P48  1  0.603306  0.495116  0.463372  1
  P  P49  1  0.556183  0.902113  0.513682  1
  P  P50  1  0.053199  0.903501  0.513932  1
  P  P51  1  0.988826  0.266207  0.497064  1
  P  P52  1  0.418052  0.629749  0.480740  1
  P  P53  1  0.485571  0.267654  0.497291  1
  P  P54  1  0.623714  0.539401  0.530904  1
  P  P55  1  0.237219  0.767538  0.497678  1
  P  P56  1  0.736714  0.765775  0.496637  1
  P  P57  1  0.668935  0.131892  0.481531  1
  P  P58  1  0.804678  0.402025  0.513417  1
  P  P59  1  0.169401  0.128478  0.479513  1
  P  P60  1  0.305109  0.404051  0.514759  1
  P  P61  1  0.257881  0.811397  0.564999  1
  P  P62  1  0.757048  0.809062  0.563531  1
  P  P63  1  0.689283  0.176524  0.547935  1
  P  P64  1  0.121323  0.538544  0.531078  1
  P  P65  1  0.191397  0.174242  0.546629  1
  P  P66  1  0.326084  0.449052  0.581080  1
  P  P67  1  0.941735  0.675834  0.547257  1
  P  P68  1  0.439153  0.675116  0.547267  1
  P  P69  1  0.372674  0.037195  0.529765  1
  P  P70  1  0.506870  0.311901  0.564484  1
  P  P71  1  0.871922  0.040229  0.531663  1
  P  P72  1  0.008478  0.309640  0.564211  1
  P  P73  1  0.963109  0.720664  0.613878  1
  P  P74  1  0.459731  0.720221  0.613869  1
  P  P75  1  0.392574  0.080110  0.596350  1
  P  P76  1  0.826039  0.447534  0.580160  1
  P  P77  1  0.893340  0.085169  0.599598  1
  P  P78  1  0.027805  0.351522  0.631256  1
  P  P79  1  0.644300  0.584220  0.598527  1
  P  P80  1  0.141955  0.582202  0.598898  1
  P  P81  1  0.073174  0.948173  0.580474  1
  P  P82  1  0.214368  0.220145  0.613621  1
  P  P83  1  0.578516  0.947170  0.580224  1
  P  P84  1  0.709299  0.221709  0.614575  1
  P  P85  1  0.665390  0.629520  0.666650  1
  P  P86  1  0.162035  0.624999  0.667234  1
  P  P87  1  0.092869  0.993845  0.646904  1
  P  P88  1  0.528549  0.357216  0.631566  1
  P  P89  1  0.601240  0.992775  0.646672  1
  P  P90  1  0.725214  0.266247  0.681667  1
  P  P91  1  0.346594  0.493457  0.647465  1
  P  P92  1  0.847458  0.492330  0.646760  1
  P  P93  1  0.776863  0.851712  0.630357  1
  P  P94  1  0.913687  0.129292  0.668201  1
  P  P95  1  0.277940  0.854752  0.632349  1
  P  P96  1  0.413027  0.124353  0.662417  1
  P  P97  1  0.361936  0.535885  0.712168  1
  P  P98  1  0.871171  0.534993  0.711550  1
  P  P99  1  0.794668  0.890657  0.696521  1
  P  P100  1  0.239154  0.264565  0.680931  1
  P  P101  1  0.301691  0.904746  0.698692  1
  P  P102  1  0.430970  0.164509  0.727246  1
  P  P103  1  0.045151  0.390084  0.697267  1
  P  P104  1  0.549263  0.402222  0.698170  1
  P  P105  1  0.479546  0.767718  0.680188  1
  P  P106  1  0.622153  0.033134  0.712377  1
  P  P107  1  0.987920  0.768325  0.680195  1
  P  P108  1  0.108892  0.033152  0.712594  1
