# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34032894
_cell_length_b   34.78560483
_cell_length_c   61.21245062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99441964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   17759.1633898
_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  0.890900  0.510375  0.358609  1
  P  P2  1  0.239417  0.100059  0.483609  1
  P  P3  1  0.862469  0.440464  0.266450  1
  P  P4  1  0.205734  0.032779  0.391917  1
  P  P5  1  0.641578  0.512673  0.397009  1
  P  P6  1  0.304784  0.924215  0.272207  1
  P  P7  1  0.803572  0.620165  0.478518  1
  P  P8  1  0.455056  0.030480  0.353518  1
  P  P9  1  0.738071  0.588913  0.372921  1
  P  P10  1  0.086588  0.178597  0.497921  1
  P  P11  1  0.004799  0.367285  0.253054  1
  P  P12  1  0.358562  0.954240  0.377605  1
  P  P13  1  0.985558  0.547453  0.403552  1
  P  P14  1  0.625325  0.956641  0.278335  1
  P  P15  1  0.459592  0.585385  0.471974  1
  P  P16  1  0.111076  0.995700  0.346974  1
  P  P17  1  0.496841  0.639035  0.280858  1
  P  P18  1  0.845357  0.228720  0.405858  1
  P  P19  1  0.251276  0.314434  0.344668  1
  P  P20  1  0.599793  0.904118  0.469668  1
  P  P21  1  0.393194  0.557963  0.298410  1
  P  P22  1  0.741711  0.147647  0.423410  1
  P  P23  1  0.354923  0.395507  0.327116  1
  P  P24  1  0.703440  0.985191  0.452116  1
  P  P25  1  0.228665  0.632518  0.316654  1
  P  P26  1  0.577181  0.222202  0.441654  1
  P  P27  1  0.519453  0.320951  0.308872  1
  P  P28  1  0.867969  0.910636  0.433872  1
  P  P29  1  0.159161  0.605450  0.268655  1
  P  P30  1  0.507677  0.195134  0.393655  1
  P  P31  1  0.588957  0.348020  0.356871  1
  P  P32  1  0.937473  0.937704  0.481871  1
  P  P33  1  0.143327  0.430903  0.468673  1
  P  P34  1  0.794811  0.841219  0.343673  1
  P  P35  1  0.301823  0.701935  0.406853  1
  P  P36  1  0.953307  0.112250  0.281853  1
  P  P37  1  0.833480  0.389762  0.451319  1
  P  P38  1  0.484964  0.800078  0.326319  1
  P  P39  1  0.611670  0.743076  0.424207  1
  P  P40  1  0.263154  0.153392  0.299207  1
  P  P41  1  0.137380  0.341105  0.463623  1
  P  P42  1  0.788864  0.751421  0.338623  1
  P  P43  1  0.307770  0.791733  0.411903  1
  P  P44  1  0.959254  0.202049  0.286903  1
  P  P45  1  0.141611  0.393697  0.421949  1
  P  P46  1  0.793095  0.804013  0.296949  1
  P  P47  1  0.303539  0.739141  0.453577  1
  P  P48  1  0.955023  0.149457  0.328577  1
  P  P49  1  0.587933  0.689743  0.608609  1
  P  P50  1  0.931197  0.282059  0.734077  1
  P  P51  1  0.554250  0.622463  0.516917  1
  P  P52  1  0.902766  0.212148  0.641917  1
  P  P53  1  0.338611  0.692042  0.647009  1
  P  P54  1  0.990094  0.102357  0.522009  1
  P  P55  1  0.488883  0.798307  0.728319  1
  P  P56  1  0.152089  0.209849  0.603518  1
  P  P57  1  0.435104  0.768282  0.622921  1
  P  P58  1  0.788867  0.355237  0.747472  1
  P  P59  1  0.707079  0.543925  0.502605  1
  P  P60  1  0.055595  0.133609  0.627605  1
  P  P61  1  0.682591  0.726822  0.653552  1
  P  P62  1  0.334074  0.137138  0.528552  1
  P  P63  1  0.168342  0.765881  0.722191  1
  P  P64  1  0.808108  0.175069  0.596974  1
  P  P65  1  0.193874  0.818404  0.530858  1
  P  P66  1  0.542390  0.408088  0.655858  1
  P  P67  1  0.948309  0.493803  0.594668  1
  P  P68  1  0.296825  0.083487  0.719668  1
  P  P69  1  0.090227  0.737331  0.548410  1
  P  P70  1  0.438743  0.327015  0.673410  1
  P  P71  1  0.051956  0.574875  0.577116  1
  P  P72  1  0.400472  0.164560  0.702116  1
  P  P73  1  0.925698  0.811886  0.566654  1
  P  P74  1  0.274214  0.401571  0.691654  1
  P  P75  1  0.216485  0.500320  0.558872  1
  P  P76  1  0.565002  0.090004  0.683872  1
  P  P77  1  0.856193  0.784818  0.518655  1
  P  P78  1  0.204710  0.374502  0.643655  1
  P  P79  1  0.285989  0.527388  0.606871  1
  P  P80  1  0.634506  0.117073  0.731871  1
  P  P81  1  0.840360  0.610272  0.718673  1
  P  P82  1  0.491843  0.020588  0.593673  1
  P  P83  1  0.998856  0.881303  0.656853  1
  P  P84  1  0.650339  0.291619  0.531853  1
  P  P85  1  0.530513  0.569131  0.701319  1
  P  P86  1  0.181996  0.979446  0.576319  1
  P  P87  1  0.308703  0.922444  0.674207  1
  P  P88  1  0.960187  0.332760  0.549207  1
  P  P89  1  0.834413  0.520474  0.713623  1
  P  P90  1  0.485896  0.930789  0.588623  1
  P  P91  1  0.004803  0.971102  0.661903  1
  P  P92  1  0.656286  0.381417  0.536903  1
  P  P93  1  0.838644  0.573066  0.671949  1
  P  P94  1  0.490127  0.983381  0.546949  1
  P  P95  1  1.000572  0.918510  0.703577  1
  P  P96  1  0.652056  0.328825  0.578577  1
