# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.77973371
_cell_length_b   19.79323733
_cell_length_c   53.01914883
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.80492109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   20123.4663804
_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  0.862315  0.082160  0.362510  1
  P  P2  1  0.959911  0.807745  0.304930  1
  P  P3  1  0.841019  0.238252  0.345949  1
  P  P4  1  0.980694  0.655277  0.321116  1
  P  P5  1  0.960088  0.171519  0.384093  1
  P  P6  1  0.864410  0.720452  0.283844  1
  P  P7  1  0.999877  0.387479  0.289952  1
  P  P8  1  0.822991  0.504291  0.377513  1
  P  P9  1  0.243071  0.967051  0.355513  1
  P  P10  1  0.579714  0.924766  0.311975  1
  P  P11  1  0.131946  0.015206  0.312738  1
  P  P12  1  0.690839  0.876612  0.354750  1
  P  P13  1  0.219730  0.116905  0.332288  1
  P  P14  1  0.603054  0.774913  0.335200  1
  P  P15  1  0.291592  0.985769  0.300128  1
  P  P16  1  0.531193  0.906049  0.367360  1
  P  P17  1  0.507285  0.328492  0.383745  1
  P  P18  1  0.315500  0.563325  0.283743  1
  P  P19  1  0.550989  0.325428  0.326754  1
  P  P20  1  0.271795  0.566390  0.340734  1
  P  P21  1  0.409365  0.291899  0.342031  1
  P  P22  1  0.413420  0.599918  0.325457  1
  P  P23  1  0.551207  0.185871  0.354927  1
  P  P24  1  0.271578  0.705946  0.312561  1
  P  P25  1  0.665967  0.897170  0.473621  1
  P  P26  1  0.764121  0.624668  0.416090  1
  P  P27  1  0.644671  0.053262  0.457061  1
  P  P28  1  0.785417  0.468576  0.432650  1
  P  P29  1  0.763739  0.986529  0.495204  1
  P  P30  1  0.666349  0.535308  0.394506  1
  P  P31  1  0.803446  0.202536  0.401086  1
  P  P32  1  0.626643  0.319301  0.488624  1
  P  P33  1  0.046722  0.782061  0.466624  1
  P  P34  1  0.383366  0.739776  0.423087  1
  P  P35  1  0.935598  0.830216  0.423849  1
  P  P36  1  0.494490  0.691622  0.465861  1
  P  P37  1  0.023382  0.931915  0.443399  1
  P  P38  1  0.406706  0.589923  0.446311  1
  P  P39  1  0.095243  0.800779  0.411239  1
  P  P40  1  0.334845  0.721059  0.478471  1
  P  P41  1  0.310936  0.143502  0.494856  1
  P  P42  1  0.119152  0.378335  0.394854  1
  P  P43  1  0.354641  0.140438  0.437865  1
  P  P44  1  0.075447  0.381400  0.451845  1
  P  P45  1  0.213016  0.106909  0.453142  1
  P  P46  1  0.217072  0.414928  0.436568  1
  P  P47  1  0.354859  0.000881  0.466038  1
  P  P48  1  0.075229  0.520956  0.423672  1
  P  P49  1  0.469619  0.712180  0.584732  1
  P  P50  1  0.567773  0.439678  0.527201  1
  P  P51  1  0.448323  0.868272  0.568172  1
  P  P52  1  0.589069  0.283586  0.543761  1
  P  P53  1  0.567391  0.801539  0.606315  1
  P  P54  1  0.470000  0.350318  0.505617  1
  P  P55  1  0.607097  0.017546  0.512197  1
  P  P56  1  0.430294  0.134311  0.599735  1
  P  P57  1  0.850374  0.597071  0.577735  1
  P  P58  1  0.187017  0.554786  0.534198  1
  P  P59  1  0.739249  0.645226  0.534960  1
  P  P60  1  0.298142  0.506632  0.576972  1
  P  P61  1  0.827034  0.746925  0.554510  1
  P  P62  1  0.210358  0.404933  0.557422  1
  P  P63  1  0.898895  0.615789  0.522350  1
  P  P64  1  0.138496  0.536069  0.589582  1
  P  P65  1  0.114588  0.958512  0.605968  1
  P  P66  1  0.922803  0.193345  0.505965  1
  P  P67  1  0.158293  0.955448  0.548976  1
  P  P68  1  0.879099  0.196410  0.562956  1
  P  P69  1  0.016668  0.921919  0.564253  1
  P  P70  1  0.020723  0.229938  0.547680  1
  P  P71  1  0.158510  0.815891  0.577149  1
  P  P72  1  0.878881  0.335966  0.534783  1
  P  P73  1  0.273829  0.529102  0.695891  1
  P  P74  1  0.371424  0.254688  0.638312  1
  P  P75  1  0.253046  0.681571  0.679706  1
  P  P76  1  0.392720  0.098596  0.654872  1
  P  P77  1  0.369330  0.616396  0.716978  1
  P  P78  1  0.273652  0.165328  0.616728  1
  P  P79  1  0.410749  0.832556  0.623308  1
  P  P80  1  0.233862  0.949368  0.710869  1
  P  P81  1  0.654026  0.412081  0.688846  1
  P  P82  1  0.990669  0.369797  0.645309  1
  P  P83  1  0.542901  0.460236  0.646071  1
  P  P84  1  0.101794  0.321642  0.688083  1
  P  P85  1  0.630685  0.561935  0.665621  1
  P  P86  1  0.014009  0.219943  0.668533  1
  P  P87  1  0.702546  0.430799  0.633461  1
  P  P88  1  0.942148  0.351079  0.700694  1
  P  P89  1  0.918240  0.773522  0.717079  1
  P  P90  1  0.726455  0.008356  0.617076  1
  P  P91  1  0.961944  0.770458  0.660088  1
  P  P92  1  0.682750  0.011420  0.674067  1
  P  P93  1  0.820320  0.736929  0.675364  1
  P  P94  1  0.824375  0.044948  0.658791  1
  P  P95  1  0.962162  0.630901  0.688260  1
  P  P96  1  0.682532  0.150976  0.645895  1
