# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56053634
_cell_length_b   10.83040073
_cell_length_c   42.92512225
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.86788975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P81
_cell_volume   5233.90192102
_cell_formula_units_Z   81
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  0.148298  0.207783  0.393463  1
  P  P2  1  0.762122  0.016316  0.354652  1
  P  P3  1  0.579518  0.300192  0.364609  1
  P  P4  1  0.928315  0.729822  0.346343  1
  P  P5  1  0.045655  -0.036933  0.368801  1
  P  P6  1  0.864572  0.255764  0.380264  1
  P  P7  1  0.215042  0.670847  0.356465  1
  P  P8  1  0.329863  0.906024  0.381151  1
  P  P9  1  0.502223  0.615441  0.369955  1
  P  P10  1  0.054033  0.524674  0.400117  1
  P  P11  1  0.432586  0.146324  0.406882  1
  P  P12  1  0.345710  0.462088  0.411125  1
  P  P13  1  0.613756  0.855623  0.395596  1
  P  P14  1  0.709611  0.111439  0.424559  1
  P  P15  1  0.632428  0.425213  0.427996  1
  P  P16  1  0.888492  0.824289  0.415439  1
  P  P17  1  0.992782  0.063698  0.439400  1
  P  P18  1  0.171922  0.762469  0.426406  1
  P  P19  1  0.915109  0.372750  0.445796  1
  P  P20  1  0.275043  0.008526  0.451995  1
  P  P21  1  0.196342  0.321345  0.458931  1
  P  P22  1  0.453329  0.713206  0.439895  1
  P  P23  1  0.559270  0.957206  0.467264  1
  P  P24  1  0.479075  0.271871  0.472311  1
  P  P25  1  0.737160  0.666122  0.455627  1
  P  P26  1  0.838840  0.920404  0.486991  1
  P  P27  1  0.017294  0.620505  0.472207  1
  P  P28  1  0.758584  0.232245  0.489477  1
  P  P29  1  0.123604  0.863279  0.498061  1
  P  P30  1  0.041244  0.176365  0.505281  1
  P  P31  1  0.300743  0.564728  0.484107  1
  P  P32  1  0.403702  0.809614  0.511057  1
  P  P33  1  0.326173  0.123067  0.518102  1
  P  P34  1  0.580765  0.519234  0.499975  1
  P  P35  1  0.679853  0.763455  0.527220  1
  P  P36  1  0.861442  0.473700  0.516518  1
  P  P37  1  0.610052  0.079704  0.533578  1
  P  P38  1  0.961014  0.717274  0.542985  1
  P  P39  1  0.702733  0.330485  0.561001  1
  P  P40  1  0.144302  0.421583  0.530020  1
  P  P41  1  0.244308  0.667275  0.555996  1
  P  P42  1  0.984833  0.283525  0.575572  1
  P  P43  1  0.425291  0.370987  0.543982  1
  P  P44  1  0.451976  0.934113  0.577503  1
  P  P45  1  0.524070  0.619700  0.571982  1
  P  P46  1  0.268803  0.225975  0.588806  1
  P  P47  1  0.738915  0.887810  0.591763  1
  P  P48  1  0.549575  0.179614  0.605138  1
  P  P49  1  0.804532  0.573905  0.587867  1
  P  P50  1  0.022197  0.836872  0.607764  1
  P  P51  1  0.833631  0.131367  0.618401  1
  P  P52  1  0.088465  0.523875  0.601348  1
  P  P53  1  0.302910  0.784277  0.621871  1
  P  P54  1  0.371197  0.470278  0.615645  1
  P  P55  1  0.116008  0.083248  0.633869  1
  P  P56  1  0.583196  0.741998  0.637407  1
  P  P57  1  0.397110  0.034750  0.649973  1
  P  P58  1  0.651586  0.425168  0.632705  1
  P  P59  1  0.864999  0.692497  0.652627  1
  P  P60  1  0.681603  -0.014784  0.663679  1
  P  P61  1  0.934704  0.377217  0.646988  1
  P  P62  1  0.146717  0.639622  0.666877  1
  P  P63  1  0.216112  0.328301  0.660136  1
  P  P64  1  0.963305  0.938617  0.678775  1
  P  P65  1  0.429574  0.590372  0.680977  1
  P  P66  1  0.244242  0.883521  0.692119  1
  P  P67  1  0.496906  0.275766  0.677367  1
  P  P68  1  0.709078  0.547963  0.698101  1
  P  P69  1  0.523549  0.842893  0.708773  1
  P  P70  1  0.784142  0.229156  0.690381  1
  P  P71  1  0.990575  0.496990  0.711913  1
  P  P72  1  0.072285  0.181819  0.707088  1
  P  P73  1  0.633578  0.086105  0.734650  1
  P  P74  1  0.089056  0.740495  0.737575  1
  P  P75  1  0.917047  0.029812  0.749539  1
  P  P76  1  0.273266  0.447137  0.725406  1
  P  P77  1  0.372446  0.688009  0.750815  1
  P  P78  1  0.202851  -0.025475  0.761188  1
  P  P79  1  0.558366  0.400502  0.740833  1
  P  P80  1  0.805237  0.794633  0.723252  1
  P  P81  1  0.843495  0.337717  0.754130  1
