# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88784942
_cell_length_b   25.16972838
_cell_length_c   66.77616194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.10703096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   9895.9141491
_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  0.473107  0.649467  0.403807  1
  P  P2  1  0.432329  0.895459  0.360805  1
  P  P3  1  0.620817  0.406750  0.441967  1
  P  P4  1  0.685397  0.737548  0.434889  1
  P  P5  1  0.734834  0.969572  0.392836  1
  P  P6  1  0.715340  0.198211  0.339413  1
  P  P7  1  0.968178  0.713967  0.395009  1
  P  P8  1  0.915321  0.950197  0.347260  1
  P  P9  1  0.121670  0.428868  0.421698  1
  P  P10  1  0.201975  0.797997  0.426721  1
  P  P11  1  0.233915  1.016303  0.377126  1
  P  P12  1  0.205129  0.258250  0.340861  1
  P  P13  1  0.946353  0.838334  0.373181  1
  P  P14  1  0.966063  0.308290  0.428099  1
  P  P15  1  0.972511  0.583122  0.412400  1
  P  P16  1  0.223766  0.912877  0.405751  1
  P  P17  1  0.175892  0.127408  0.348645  1
  P  P18  1  0.169302  0.675433  0.442783  1
  P  P19  1  0.533329  0.843903  0.462868  1
  P  P20  1  0.518678  0.076300  0.414700  1
  P  P21  1  0.619346  0.314014  0.362454  1
  P  P22  1  0.629995  0.673092  0.358326  1
  P  P23  1  0.723651  0.170090  0.463384  1
  P  P24  1  0.625016  0.424579  0.393087  1
  P  P25  1  0.547407  0.961530  0.440546  1
  P  P26  1  0.477000  0.182275  0.380660  1
  P  P27  1  1.102239  0.363539  0.377385  1
  P  P28  1  0.616868  0.789686  0.337591  1
  P  P29  1  0.704440  0.199717  0.420651  1
  P  P30  1  0.637685  0.548391  0.374369  1
  P  P31  1  1.044424  0.907685  0.454198  1
  P  P32  1  1.012111  0.116579  0.396585  1
  P  P33  1  0.284959  0.384869  0.332990  1
  P  P34  1  0.124481  0.733586  0.348622  1
  P  P35  1  0.208593  0.181045  0.437082  1
  P  P36  1  0.141164  0.489942  0.379471  1
  P  P37  1  0.719632  0.856034  0.416650  1
  P  P38  1  0.694066  0.071785  0.361483  1
  P  P39  1  0.793909  0.325258  0.319646  1
  P  P40  1  0.459598  0.776617  0.384952  1
  P  P41  1  0.598822  0.897516  0.313408  1
  P  P42  1  0.474138  0.525514  0.421289  1
  P  P43  1  0.132233  0.613937  0.367050  1
  P  P44  1  1.105991  0.845600  0.324933  1
  P  P45  1  0.454598  0.305547  0.405938  1
  P  P46  1  0.778467  0.434683  0.346983  1
  P  P47  1  1.038486  1.022088  0.430011  1
  P  P48  1  0.994708  0.239990  0.384062  1
  P  P49  1  0.553161  0.911146  0.540303  1
  P  P50  1  0.486406  0.259820  0.494021  1
  P  P51  1  0.573977  0.669851  0.577081  1
  P  P52  1  1.088607  0.095998  0.537287  1
  P  P53  1  0.713846  0.277261  0.534012  1
  P  P54  1  0.643439  0.498007  0.474126  1
  P  P55  1  1.049681  0.969594  0.535201  1
  P  P56  1  0.982252  0.278492  0.477589  1
  P  P57  1  1.066365  0.725951  0.566050  1
  P  P58  1  0.905887  0.074667  0.581682  1
  P  P59  1  0.178735  0.342957  0.518087  1
  P  P60  1  0.146422  0.551852  0.460474  1
  P  P61  1  0.736247  0.153989  0.508734  1
  P  P62  1  1.084855  0.613936  0.589739  1
  P  P63  1  1.058612  0.845599  0.547622  1
  P  P64  1  0.196138  0.219546  0.530610  1
  P  P65  1  0.152359  0.437448  0.484661  1
  P  P66  1  0.412379  1.024854  0.567689  1
  P  P67  1  0.396937  0.134279  0.595026  1
  P  P68  1  0.496779  0.387751  0.553189  1
  P  P69  1  0.471213  0.603502  0.498021  1
  P  P70  1  0.716707  0.934023  0.493383  1
  P  P71  1  0.592024  0.562021  0.601264  1
  P  P72  1  0.731248  0.682920  0.529720  1
  P  P73  1  0.475505  0.261325  0.575259  1
  P  P74  1  0.456011  0.489964  0.521835  1
  P  P75  1  0.505449  0.721988  0.479783  1
  P  P76  1  0.570028  0.052786  0.472705  1
  P  P77  1  0.758517  0.564077  0.553867  1
  P  P78  1  0.717738  0.810070  0.510865  1
  P  P79  1  0.985717  0.201286  0.573811  1
  P  P80  1  0.956930  0.443233  0.537545  1
  P  P81  1  0.988871  0.661539  0.487951  1
  P  P82  1  1.069175  1.030669  0.492974  1
  P  P83  1  0.275524  0.509340  0.567412  1
  P  P84  1  0.222668  0.745569  0.519663  1
  P  P85  1  0.571500  0.145523  0.552218  1
  P  P86  1  0.672168  0.383237  0.499972  1
  P  P87  1  0.657516  0.615633  0.451804  1
  P  P88  1  0.565830  1.034957  0.521585  1
  P  P89  1  0.467195  0.289447  0.451288  1
  P  P90  1  0.560851  0.786445  0.556346  1
  P  P91  1  0.218335  0.876415  0.502272  1
  P  P92  1  0.224782  0.151247  0.486573  1
  P  P93  1  0.244493  0.621202  0.541491  1
  P  P94  1  1.021544  0.784103  0.471889  1
  P  P95  1  1.014954  0.332128  0.566027  1
  P  P96  1  0.967080  0.546660  0.508920  1
