# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72985258
_cell_length_b   32.97287894
_cell_length_c   39.44728672
_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   P96
_cell_volume   8753.45605442
_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  1.062988  0.056007  0.538758  1
  P  P2  1  0.381201  0.537425  0.436144  1
  P  P3  1  0.184222  0.782952  0.481122  1
  P  P4  1  0.347670  0.438648  0.438961  1
  P  P5  1  0.314820  0.107025  0.481676  1
  P  P6  1  0.618891  0.488395  0.494695  1
  P  P7  1  0.441696  0.735437  0.423066  1
  P  P8  1  0.595610  0.389234  0.497143  1
  P  P9  1  0.814473  0.106601  0.481567  1
  P  P10  1  0.132650  0.618428  0.455855  1
  P  P11  1  0.939049  0.817492  0.548442  1
  P  P12  1  0.091976  0.390698  0.497197  1
  P  P13  1  0.337333  0.339728  0.441817  1
  P  P14  1  0.408803  0.689337  0.491972  1
  P  P15  1  0.312229  0.139573  0.558282  1
  P  P16  1  0.635603  0.619816  0.451595  1
  P  P17  1  0.829818  0.239410  0.556619  1
  P  P18  1  0.911769  0.697487  0.482041  1
  P  P19  1  0.813609  0.139211  0.558367  1
  P  P20  1  0.093530  0.643280  0.545890  1
  P  P21  1  0.584763  0.289026  0.498116  1
  P  P22  1  0.695087  0.728513  0.550123  1
  P  P23  1  0.567834  0.188498  0.499870  1
  P  P24  1  0.858492  0.571173  0.512740  1
  P  P25  1  0.677142  0.782854  0.482260  1
  P  P26  1  0.839544  0.340467  0.556310  1
  P  P27  1  0.562631  0.056617  0.538827  1
  P  P28  1  0.881060  0.536000  0.435603  1
  P  P29  1  1.057978  0.089455  0.617303  1
  P  P30  1  0.372888  0.573682  0.514200  1
  P  P31  1  0.084504  0.290130  0.498317  1
  P  P32  1  0.935836  0.753556  0.416413  1
  P  P33  1  1.050575  -0.045206  0.657366  1
  P  P34  1  0.354613  0.441735  0.555041  1
  P  P35  1  0.206564  0.787922  0.617597  1
  P  P36  1  0.339468  0.340638  0.555687  1
  P  P37  1  0.307859  0.006310  0.597843  1
  P  P38  1  0.597023  0.392156  0.614276  1
  P  P39  1  0.447968  0.816282  0.549562  1
  P  P40  1  0.584333  0.290885  0.615247  1
  P  P41  1  0.809382  0.006526  0.598123  1
  P  P42  1  0.120188  0.490945  0.496124  1
  P  P43  1  0.969593  0.746018  0.680710  1
  P  P44  1  0.084460  0.290875  0.614871  1
  P  P45  1  0.328300  0.239972  0.557013  1
  P  P46  1  0.440304  0.697410  0.614851  1
  P  P47  1  0.298650  0.039348  0.676095  1
  P  P48  1  0.603722  0.523734  0.574177  1
  P  P49  1  0.815651  0.140804  0.675994  1
  P  P50  1  0.948555  0.693519  0.614084  1
  P  P51  1  0.800506  0.039706  0.676640  1
  P  P52  1  0.104544  0.526648  0.574315  1
  P  P53  1  0.570785  0.190556  0.616434  1
  P  P54  1  0.707150  0.665159  0.682119  1
  P  P55  1  0.558096  0.089285  0.617405  1
  P  P56  1  0.847260  0.475131  0.633838  1
  P  P57  1  0.714815  0.784032  0.616830  1
  P  P58  1  0.826819  0.241470  0.674668  1
  P  P59  1  0.551396  -0.042293  0.657504  1
  P  P60  1  0.856469  0.442093  0.555586  1
  P  P61  1  1.034931  -0.009504  0.735557  1
  P  P62  1  0.345737  0.474915  0.633558  1
  P  P63  1  1.070659  0.190566  0.616810  1
  P  P64  1  0.185525  0.735423  0.550971  1
  P  P65  1  1.061589  0.838162  0.685791  1
  P  P66  1  0.341510  0.342231  0.673314  1
  P  P67  1  0.243349  0.783955  0.749640  1
  P  P68  1  0.325300  0.242032  0.675062  1
  P  P69  1  0.296627  0.910268  0.718941  1
  P  P70  1  0.587285  0.292943  0.731811  1
  P  P71  1  0.460031  0.752929  0.681558  1
  P  P72  1  0.570355  0.192416  0.733565  1
  P  P73  1  0.782230  0.907760  0.717481  1
  P  P74  1  0.097140  0.391987  0.614378  1
  P  P75  1  0.219283  0.727885  0.815269  1
  P  P76  1  1.070615  0.191311  0.733364  1
  P  P77  1  0.315575  0.140974  0.675371  1
  P  P78  1  0.477977  0.698587  0.749421  1
  P  P79  1  0.274059  0.945442  0.796078  1
  P  P80  1  0.592488  0.424825  0.692855  1
  P  P81  1  0.807448  0.042793  0.792720  1
  P  P82  1  0.970897  0.698490  0.750559  1
  P  P83  1  0.773917  0.944016  0.795537  1
  P  P84  1  0.092131  0.425434  0.692923  1
  P  P85  1  0.559509  0.092208  0.734538  1
  P  P86  1  0.713422  0.746005  0.808615  1
  P  P87  1  0.536227  -0.006953  0.736986  1
  P  P88  1  0.840299  0.374417  0.750005  1
  P  P89  1  0.746316  0.792105  0.739709  1
  P  P90  1  0.817786  0.141713  0.789864  1
  P  P91  1  0.519516  0.861625  0.780086  1
  P  P92  1  0.842890  0.341868  0.673399  1
  P  P93  1  1.022469  0.863013  0.775826  1
  P  P94  1  0.340645  0.374840  0.750114  1
  P  P95  1  1.063143  0.090744  0.734484  1
  P  P96  1  0.216070  0.663949  0.683239  1
