# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89247737
_cell_length_b   39.89545205
_cell_length_c   51.19592760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.15853845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P128
_cell_volume   12035.2486446
_cell_formula_units_Z   128
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  0.561148  0.384881  0.416316  1
  P  P2  1  0.619058  0.845653  0.447562  1
  P  P3  1  0.518827  0.465981  0.406220  1
  P  P4  1  0.533951  0.035909  0.367591  1
  P  P5  1  1.062677  0.421352  0.408888  1
  P  P6  1  1.072315  0.883889  0.422719  1
  P  P7  1  0.991177  0.506009  0.415151  1
  P  P8  1  1.033441  0.076407  0.361810  1
  P  P9  1  1.004432  0.346532  0.440100  1
  P  P10  1  0.927084  0.775044  0.450221  1
  P  P11  1  0.292086  0.483033  0.463000  1
  P  P12  1  0.279697  0.065365  0.418617  1
  P  P13  1  0.523570  0.114387  0.373794  1
  P  P14  1  0.302077  0.563495  0.479935  1
  P  P15  1  0.694437  0.242836  0.433882  1
  P  P16  1  0.935636  0.814123  0.396508  1
  P  P17  1  0.543042  0.068459  0.475090  1
  P  P18  1  0.928805  0.589697  0.440578  1
  P  P19  1  0.689171  0.307957  0.395887  1
  P  P20  1  0.651829  0.711498  0.416342  1
  P  P21  1  1.021317  0.033103  0.469317  1
  P  P22  1  0.428850  0.626706  0.428308  1
  P  P23  1  0.188919  0.273401  0.419008  1
  P  P24  1  0.152376  0.699450  0.438083  1
  P  P25  1  0.480842  0.544441  0.422894  1
  P  P26  1  0.563200  0.000266  0.441543  1
  P  P27  1  0.500334  0.320891  0.454470  1
  P  P28  1  0.476489  0.855314  0.387980  1
  P  P29  1  0.189274  0.342967  0.383377  1
  P  P30  1  0.415220  0.782986  0.417417  1
  P  P31  1  0.782266  0.069927  0.417160  1
  P  P32  1  0.921351  0.646345  0.399592  1
  P  P33  1  0.467766  0.260437  0.492242  1
  P  P34  1  0.455574  0.708742  0.532093  1
  P  P35  1  0.765255  0.373067  0.492187  1
  P  P36  1  0.584101  0.922331  0.426236  1
  P  P37  1  0.974715  0.279648  0.480322  1
  P  P38  1  0.979447  0.731819  0.501139  1
  P  P39  1  0.272328  0.404005  0.468890  1
  P  P40  1  1.083283  -0.034562  0.433060  1
  P  P41  1  0.770400  0.192940  0.482478  1
  P  P42  1  0.958504  0.665909  0.535992  1
  P  P43  1  0.249366  0.341649  0.509371  1
  P  P44  1  0.284249  0.907649  0.477566  1
  P  P45  1  0.320908  -0.016304  0.499389  1
  P  P46  1  0.463044  0.421778  0.526744  1
  P  P47  1  0.408216  0.139109  0.496963  1
  P  P48  1  0.728238  0.669424  0.470418  1
  P  P49  1  0.595436  0.939309  0.543550  1
  P  P50  1  0.471365  0.504324  0.520163  1
  P  P51  1  0.520055  0.139244  0.435709  1
  P  P52  1  0.784117  0.597064  0.500740  1
  P  P53  1  1.101866  0.914735  0.536783  1
  P  P54  1  0.981233  0.455585  0.513103  1
  P  P55  1  1.002285  0.116973  0.462605  1
  P  P56  1  0.298676  0.600162  0.536200  1
  P  P57  1  0.770664  0.441625  0.457959  1
  P  P58  1  0.730887  0.874675  0.503545  1
  P  P59  1  0.210682  0.201529  0.524901  1
  P  P60  1  0.465800  0.742542  0.473007  1
  P  P61  1  0.239356  0.203999  0.456319  1
  P  P62  1  0.235042  0.646562  0.485296  1
  P  P63  1  0.810699  0.952070  0.485419  1
  P  P64  1  0.805697  0.521455  0.473151  1
  P  P65  1  0.412555  0.135426  0.559559  1
  P  P66  1  0.676617  0.593246  0.624590  1
  P  P67  1  0.725307  0.228166  0.540136  1
  P  P68  1  0.601236  0.793182  0.516749  1
  P  P69  1  0.897996  0.132329  0.524099  1
  P  P70  1  0.194387  0.615518  0.597694  1
  P  P71  1  0.215438  0.276906  0.547196  1
  P  P72  1  1.094805  0.817755  0.523516  1
  P  P73  1  0.961630  0.085929  0.575004  1
  P  P74  1  0.957316  0.528492  0.603980  1
  P  P75  1  0.390975  0.211036  0.587149  1
  P  P76  1  0.385973  0.780421  0.574880  1
  P  P77  1  0.465784  0.857816  0.556754  1
  P  P78  1  0.426008  0.290865  0.602341  1
  P  P79  1  0.730872  -0.010052  0.587293  1
  P  P80  1  0.985990  0.530962  0.535398  1
  P  P81  1  0.612571  0.810160  0.634063  1
  P  P82  1  0.431417  0.359424  0.568112  1
  P  P83  1  0.741098  0.023748  0.528207  1
  P  P84  1  0.728906  0.472054  0.568057  1
  P  P85  1  0.113388  0.767052  0.627239  1
  P  P86  1  0.924344  0.328485  0.591409  1
  P  P87  1  0.217225  0.000671  0.559160  1
  P  P88  1  0.221957  0.452843  0.579977  1
  P  P89  1  0.733627  0.310712  0.533555  1
  P  P90  1  0.875764  0.748795  0.560910  1
  P  P91  1  0.468434  0.063067  0.589881  1
  P  P92  1  0.788455  0.593382  0.563336  1
  P  P93  1  0.238168  0.066582  0.524307  1
  P  P94  1  0.426272  0.539551  0.577821  1
  P  P95  1  0.912423  0.824842  0.582733  1
  P  P96  1  0.947305  0.390841  0.550929  1
  P  P97  1  0.544843  0.020992  0.643957  1
  P  P98  1  0.507501  0.424533  0.664412  1
  P  P99  1  0.267867  0.142794  0.619721  1
  P  P100  1  0.653629  0.664032  0.585209  1
  P  P101  1  1.044296  0.033040  0.622217  1
  P  P102  1  1.007753  0.459090  0.641291  1
  P  P103  1  0.767822  0.105785  0.631992  1
  P  P104  1  0.175354  0.699388  0.590983  1
  P  P105  1  0.781452  0.949505  0.642882  1
  P  P106  1  1.007397  0.389524  0.676922  1
  P  P107  1  0.275321  0.086145  0.660707  1
  P  P108  1  0.414406  0.662563  0.643139  1
  P  P109  1  0.633472  0.732225  0.618756  1
  P  P110  1  0.715829  0.188050  0.637406  1
  P  P111  1  0.720183  0.877176  0.672320  1
  P  P112  1  0.696338  0.411599  0.605829  1
  P  P113  1  0.662721  0.696582  0.692708  1
  P  P114  1  0.677845  0.266510  0.654079  1
  P  P115  1  0.577613  0.886838  0.612737  1
  P  P116  1  0.635524  0.347610  0.643983  1
  P  P117  1  0.163230  0.656084  0.698489  1
  P  P118  1  0.205495  0.226482  0.645149  1
  P  P119  1  0.124357  0.848602  0.637580  1
  P  P120  1  0.133995  0.311138  0.651412  1
  P  P121  1  0.894595  0.168996  0.580364  1
  P  P122  1  0.673102  0.618103  0.686505  1
  P  P123  1  0.261036  0.918368  0.663791  1
  P  P124  1  0.502235  0.489655  0.626417  1
  P  P125  1  0.269588  0.957446  0.610078  1
  P  P126  1  0.192240  0.385958  0.620199  1
  P  P127  1  0.916975  0.667126  0.641683  1
  P  P128  1  0.904585  0.249457  0.597299  1
