# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94751295
_cell_length_b   17.03453394
_cell_length_c   63.65911674
_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   8618.30994336
_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  0.068785  0.312979  0.470143  1
  P  P2  1  0.097071  0.885888  0.358243  1
  P  P3  1  0.340799  0.633825  0.406034  1
  P  P4  1  0.204024  0.453196  0.415006  1
  P  P5  1  0.391799  1.194696  0.470649  1
  P  P6  1  0.102653  0.698016  0.364541  1
  P  P7  1  0.182002  1.061427  0.340530  1
  P  P8  1  0.427654  0.797244  0.384081  1
  P  P9  1  0.535461  0.536023  0.440547  1
  P  P10  1  0.194035  0.514036  0.369942  1
  P  P11  1  0.439524  0.342496  0.439139  1
  P  P12  1  0.368702  0.780304  0.331339  1
  P  P13  1  0.810006  0.568228  0.473581  1
  P  P14  1  0.799277  0.936653  0.325228  1
  P  P15  1  0.077360  0.778172  0.412993  1
  P  P16  1  0.835526  0.412827  0.433547  1
  P  P17  1  0.060898  1.102352  0.447316  1
  P  P18  1  0.837709  0.546130  0.348402  1
  P  P19  1  0.339533  0.329534  0.379385  1
  P  P20  1  0.409378  1.142649  0.423228  1
  P  P21  1  0.207758  0.580432  0.323264  1
  P  P22  1  0.321153  1.245046  0.333909  1
  P  P23  1  0.453893  1.137083  0.373964  1
  P  P24  1  0.490957  0.949853  0.418674  1
  P  P25  1  0.700341  0.271104  0.350349  1
  P  P26  1  0.787729  1.085137  0.410625  1
  P  P27  1  0.598904  0.629687  0.312265  1
  P  P28  1  0.073758  0.389791  0.335587  1
  P  P29  1  0.824269  1.053006  0.362899  1
  P  P30  1  0.917133  0.924000  0.437264  1
  P  P31  1  0.680860  0.265792  0.401114  1
  P  P32  1  0.666093  1.054479  0.459409  1
  P  P33  1  0.490460  0.440410  0.340760  1
  P  P34  1  0.639917  0.753935  0.427558  1
  P  P35  1  0.571462  1.099466  0.325726  1
  P  P36  1  0.792817  0.884533  0.389834  1
  P  P37  1  0.582975  0.478363  0.391708  1
  P  P38  1  0.756158  1.228907  0.449190  1
  P  P39  1  0.481800  0.628001  0.358012  1
  P  P40  1  0.680745  0.379207  0.480401  1
  P  P41  1  0.484469  0.951565  0.358904  1
  P  P42  1  0.766606  0.661350  0.389580  1
  P  P43  1  0.046545  1.201073  0.372811  1
  P  P44  1  0.153352  1.018376  0.394804  1
  P  P45  1  0.962129  0.604019  0.428565  1
  P  P46  1  0.923673  0.386452  0.381434  1
  P  P47  1  0.087906  0.264349  0.419497  1
  P  P48  1  0.746292  0.770984  0.347789  1
  P  P49  1  0.904382  0.673502  0.599629  1
  P  P50  1  0.061007  1.139292  0.497952  1
  P  P51  1  0.153871  1.010287  0.572317  1
  P  P52  1  0.277799  0.792188  0.584866  1
  P  P53  1  0.379236  0.433606  0.622951  1
  P  P54  1  0.190411  0.978155  0.524591  1
  P  P55  1  0.338223  0.309357  0.507658  1
  P  P56  1  0.185323  1.178759  0.545381  1
  P  P57  1  0.406677  0.963826  0.609490  1
  P  P58  1  0.297280  0.797500  0.534102  1
  P  P59  1  0.487680  0.622882  0.594455  1
  P  P60  1  0.312047  1.008813  0.475807  1
  P  P61  1  0.931595  0.862219  0.562404  1
  P  P62  1  0.016010  0.459274  0.506651  1
  P  P63  1  0.824787  1.044916  0.540412  1
  P  P64  1  0.054467  0.676840  0.553782  1
  P  P65  1  0.231848  0.292309  0.587427  1
  P  P66  1  0.890234  0.798944  0.515719  1
  P  P67  1  0.395165  0.584929  0.543508  1
  P  P68  1  0.496339  0.435292  0.577204  1
  P  P69  1  0.221982  0.834386  0.486025  1
  P  P70  1  0.297395  0.684085  0.454814  1
  P  P71  1  0.211533  0.401943  0.545636  1
  P  P72  1  0.493671  1.111728  0.576312  1
  P  P73  1  0.774116  0.610097  0.520210  1
  P  P74  1  0.875487  0.365276  0.570674  1
  P  P75  1  0.586341  0.868596  0.464567  1
  P  P76  1  0.909355  0.750314  0.465073  1
  P  P77  1  0.637340  0.429467  0.529182  1
  P  P78  1  0.881069  1.177404  0.576972  1
  P  P79  1  0.784105  0.549256  0.565274  1
  P  P80  1  0.609438  0.282988  0.603877  1
  P  P81  1  0.538616  0.720796  0.496077  1
  P  P82  1  0.796138  1.001865  0.594686  1
  P  P83  1  0.442679  0.527270  0.494669  1
  P  P84  1  0.550486  0.266049  0.551135  1
  P  P85  1  0.638607  0.733758  0.555831  1
  P  P86  1  0.770381  0.482860  0.611952  1
  P  P87  1  0.568762  0.920643  0.511988  1
  P  P88  1  0.656987  0.818246  0.601307  1
  P  P89  1  0.487183  1.113439  0.516541  1
  P  P90  1  0.524247  0.926209  0.561252  1
  P  P91  1  0.168134  0.495065  0.461635  1
  P  P92  1  0.900779  0.285121  0.522223  1
  P  P93  1  0.178863  1.126640  0.609987  1
  P  P94  1  0.142614  0.650466  0.501669  1
  P  P95  1  0.140430  0.517163  0.586814  1
  P  P96  1  0.917242  0.960940  0.487900  1
