# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.01919271
_cell_length_b   13.51273970
_cell_length_c   38.94869359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.82041920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   7904.61573487
_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  0.743793  1.017242  0.545505  1
  P  P2  1  0.727569  0.604419  0.597531  1
  P  P3  1  0.894514  0.877008  0.514866  1
  P  P4  1  0.821022  0.381068  0.486202  1
  P  P5  1  0.776957  0.133407  0.475551  1
  P  P6  1  0.691543  0.772137  0.536176  1
  P  P7  1  0.850365  0.636986  0.500596  1
  P  P8  1  0.924319  0.975982  0.444220  1
  P  P9  1  0.538905  0.907742  0.574368  1
  P  P10  1  0.625343  0.265831  0.513101  1
  P  P11  1  0.965993  0.106787  0.515494  1
  P  P12  1  0.004952  0.505454  0.465043  1
  P  P13  1  0.118214  0.968709  0.482973  1
  P  P14  1  0.059742  0.605603  0.536177  1
  P  P15  1  0.464656  0.814185  0.501949  1
  P  P16  1  0.473025  0.417787  0.540838  1
  P  P17  1  0.149488  1.088533  0.560502  1
  P  P18  1  0.204855  0.463641  0.501489  1
  P  P19  1  0.193583  0.614896  0.441447  1
  P  P20  1  0.370357  0.343892  0.472317  1
  P  P21  1  0.258026  0.311431  0.559955  1
  P  P22  1  0.239588  0.733406  0.509708  1
  P  P23  1  0.395688  0.583512  0.487493  1
  P  P24  1  0.416524  0.182453  0.528900  1
  P  P25  1  0.034970  0.751283  0.471762  1
  P  P26  1  0.034122  0.333146  0.522395  1
  P  P27  1  0.720286  0.902124  0.468272  1
  P  P28  1  0.673832  0.514780  0.525694  1
  P  P29  1  0.562668  1.029339  0.503288  1
  P  P30  1  0.562852  0.440826  0.462278  1
  P  P31  1  0.091946  0.849001  0.552393  1
  P  P32  1  0.204291  0.195234  0.491325  1
  P  P33  1  0.639244  0.242752  0.661245  1
  P  P34  1  0.638787  0.826629  0.707325  1
  P  P35  1  0.789204  0.118861  0.622313  1
  P  P36  1  0.885122  0.471135  0.560342  1
  P  P37  1  0.660677  0.367283  0.590439  1
  P  P38  1  0.605956  0.996155  0.650126  1
  P  P39  1  0.753401  0.868251  0.608409  1
  P  P40  1  0.816044  0.243623  0.552433  1
  P  P41  1  0.437411  0.142864  0.669814  1
  P  P42  1  0.510679  0.510738  0.619996  1
  P  P43  1  0.846094  0.356404  0.633731  1
  P  P44  1  0.903800  0.726063  0.575460  1
  P  P45  1  -0.001375  0.228761  0.594786  1
  P  P46  1  0.006634  0.812634  0.640392  1
  P  P47  1  0.371349  1.055092  0.595284  1
  P  P48  1  0.360117  0.659221  0.644363  1
  P  P49  1  0.063426  0.328045  0.667528  1
  P  P50  1  0.159344  0.680320  0.605556  1
  P  P51  1  0.309760  0.972551  0.520544  1
  P  P52  1  0.309304  0.556429  0.566624  1
  P  P53  1  0.132504  0.555558  0.675436  1
  P  P54  1  0.195147  0.930929  0.619461  1
  P  P55  1  0.342592  0.803026  0.577743  1
  P  P56  1  0.287871  0.431897  0.637430  1
  P  P57  1  0.941913  0.986546  0.587478  1
  P  P58  1  0.949922  0.570419  0.633083  1
  P  P59  1  0.588430  0.139959  0.583506  1
  P  P60  1  0.577199  0.744089  0.632585  1
  P  P61  1  0.437869  0.288442  0.607873  1
  P  P62  1  0.511137  0.656316  0.558055  1
  P  P63  1  0.044747  1.073117  0.652409  1
  P  P64  1  0.102454  0.442776  0.594138  1
  P  P65  1  0.578190  0.455289  0.755552  1
  P  P66  1  0.754964  0.184285  0.786422  1
  P  P67  1  0.743693  0.335539  0.726380  1
  P  P68  1  0.799059  0.710648  0.667367  1
  P  P69  1  0.532023  0.616728  0.698969  1
  P  P70  1  0.552859  0.215669  0.740376  1
  P  P71  1  0.708960  1.065774  0.718161  1
  P  P72  1  0.690522  0.487749  0.667914  1
  P  P73  1  0.385696  0.358354  0.765591  1
  P  P74  1  0.385880  0.769842  0.724581  1
  P  P75  1  0.744256  0.603947  0.736545  1
  P  P76  1  0.856601  0.950180  0.675476  1
  P  P77  1  0.914426  0.466034  0.705474  1
  P  P78  1  0.913577  1.047898  0.756107  1
  P  P79  1  0.274715  0.284400  0.702175  1
  P  P80  1  0.228261  0.897056  0.759597  1
  P  P81  1  0.127525  0.418113  0.741667  1
  P  P82  1  0.054033  0.922172  0.713003  1
  P  P83  1  0.220978  0.194761  0.630338  1
  P  P84  1  0.204755  0.781939  0.682364  1
  P  P85  1  0.024229  0.823199  0.783649  1
  P  P86  1  0.098183  0.162194  0.727273  1
  P  P87  1  0.257005  1.027044  0.691694  1
  P  P88  1  0.171591  0.665774  0.752319  1
  P  P89  1  0.888806  0.193578  0.691692  1
  P  P90  1  0.830334  0.830472  0.744896  1
  P  P91  1  0.475522  0.381393  0.687031  1
  P  P92  1  0.483891  0.984995  0.725920  1
  P  P93  1  0.323204  0.533350  0.714768  1
  P  P94  1  0.409643  0.891438  0.653501  1
  P  P95  1  0.943595  0.293726  0.762826  1
  P  P96  1  -0.017445  0.692393  0.712375  1
