# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93914799
_cell_length_b   31.88562521
_cell_length_c   47.38332403
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.19721983
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   8973.09024392
_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  0.547820  0.117466  0.415874  1
  P  P2  1  0.626224  0.632049  0.484320  1
  P  P3  1  0.733968  0.196775  0.450940  1
  P  P4  1  0.558795  0.728961  0.462436  1
  P  P5  1  1.055130  0.104190  0.516335  1
  P  P6  1  0.120073  0.672079  0.480696  1
  P  P7  1  0.222352  0.198920  0.418454  1
  P  P8  1  1.054089  0.772141  0.454529  1
  P  P9  1  1.053449  0.105378  0.448030  1
  P  P10  1  0.268191  0.570880  0.511397  1
  P  P11  1  0.414377  0.282986  0.453106  1
  P  P12  1  0.258240  0.757578  0.518236  1
  P  P13  1  0.236361  0.852309  0.495792  1
  P  P14  1  0.919617  0.285639  0.421982  1
  P  P15  1  0.879214  0.015728  0.482172  1
  P  P16  1  0.983635  0.581342  0.448129  1
  P  P17  1  0.776219  0.909378  0.478415  1
  P  P18  1  0.605365  0.367735  0.488104  1
  P  P19  1  0.983337  -0.027102  0.422865  1
  P  P20  1  0.816375  0.458498  0.460357  1
  P  P21  1  1.054047  0.870127  0.429306  1
  P  P22  1  0.125878  0.357504  0.522922  1
  P  P23  1  0.283223  0.944241  0.475648  1
  P  P24  1  0.401815  0.637865  0.424417  1
  P  P25  1  0.920708  0.278945  0.487714  1
  P  P26  1  0.550879  0.828166  0.441779  1
  P  P27  1  0.560890  0.106866  0.482684  1
  P  P28  1  0.896882  0.678104  0.421550  1
  P  P29  1  0.438434  0.025529  0.442170  1
  P  P30  1  0.473953  0.540535  0.449419  1
  P  P31  1  0.515706  0.924518  0.417179  1
  P  P32  1  0.102712  0.370719  0.457369  1
  P  P33  1  0.558286  0.101980  0.551951  1
  P  P34  1  0.587916  0.522628  0.568453  1
  P  P35  1  0.743512  0.188971  0.519176  1
  P  P36  1  0.803520  0.613436  0.547524  1
  P  P37  1  0.881713  -0.013258  0.613115  1
  P  P38  1  1.084379  0.521834  0.567052  1
  P  P39  1  0.236232  0.191561  0.484349  1
  P  P40  1  0.296714  0.660650  0.542582  1
  P  P41  1  0.869124  0.019887  0.549397  1
  P  P42  1  0.819181  0.431142  0.594287  1
  P  P43  1  0.250807  0.184716  0.552738  1
  P  P44  1  0.463332  0.641243  0.604199  1
  P  P45  1  0.435154  0.740767  0.582550  1
  P  P46  1  0.432475  0.273178  0.520404  1
  P  P47  1  0.418504  0.919090  0.604039  1
  P  P48  1  0.825181  0.441740  0.527361  1
  P  P49  1  0.393936  0.839436  0.560912  1
  P  P50  1  0.453944  0.263901  0.589259  1
  P  P51  1  0.609539  0.930244  0.539983  1
  P  P52  1  0.639170  0.350892  0.556485  1
  P  P53  1  0.900742  0.792222  0.565853  1
  P  P54  1  0.961223  0.261312  0.624086  1
  P  P55  1  0.113077  0.931038  0.541384  1
  P  P56  1  0.315742  0.466131  0.495320  1
  P  P57  1  0.764980  0.179694  0.588032  1
  P  P58  1  0.762302  0.712106  0.525886  1
  P  P59  1  0.372274  0.011132  0.581074  1
  P  P60  1  0.778951  0.533783  0.504396  1
  P  P61  1  0.378275  0.021730  0.514148  1
  P  P62  1  0.328331  0.432986  0.559039  1
  P  P63  1  0.734124  0.811630  0.504236  1
  P  P64  1  0.946649  0.268157  0.555698  1
  P  P65  1  0.381080  -0.005626  0.648078  1
  P  P66  1  0.214118  0.479974  0.685570  1
  P  P67  1  0.592091  0.085137  0.620331  1
  P  P68  1  0.421237  0.543494  0.630020  1
  P  P69  1  0.795640  0.815007  0.684019  1
  P  P70  1  0.914233  0.508631  0.632788  1
  P  P71  1  1.071577  0.095369  0.585514  1
  P  P72  1  0.143408  0.582746  0.679130  1
  P  P73  1  0.723503  0.912337  0.659017  1
  P  P74  1  0.759022  0.427344  0.666265  1
  P  P75  1  1.094744  0.082153  0.651066  1
  P  P76  1  0.681750  0.528354  0.691256  1
  P  P77  1  0.646576  0.624706  0.666657  1
  P  P78  1  0.276747  0.173927  0.620721  1
  P  P79  1  0.300574  0.774769  0.686885  1
  P  P80  1  0.636565  0.346007  0.625752  1
  P  P81  1  0.638661  0.723911  0.645999  1
  P  P82  1  0.463487  0.256098  0.657495  1
  P  P83  1  0.571231  0.820823  0.624116  1
  P  P84  1  0.649636  0.335406  0.692562  1
  P  P85  1  0.143366  0.680732  0.653906  1
  P  P86  1  0.975103  0.253953  0.689982  1
  P  P87  1  1.077383  0.780793  0.627740  1
  P  P88  1  0.142325  0.348682  0.592101  1
  P  P89  1  0.277839  0.167233  0.686453  1
  P  P90  1  0.961094  0.600564  0.612643  1
  P  P91  1  0.213821  0.871530  0.660306  1
  P  P92  1  0.318242  0.437144  0.626263  1
  P  P93  1  0.929265  0.881993  0.597039  1
  P  P94  1  0.144007  0.347494  0.660406  1
  P  P95  1  0.939215  0.695294  0.590200  1
  P  P96  1  0.783079  0.169887  0.655329  1
