# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.73945167
_cell_length_b   21.36017989
_cell_length_c   51.00539450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.05783961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P96
_cell_volume   17957.0987439
_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  0.732678  0.889524  0.303833  1
  P  P2  1  0.752574  0.637639  0.428833  1
  P  P3  1  0.366798  0.851052  0.321167  1
  P  P4  1  0.386693  0.599167  0.446167  1
  P  P5  1  0.863448  0.807366  0.319544  1
  P  P6  1  0.883343  0.555481  0.444544  1
  P  P7  1  0.236028  0.933210  0.305456  1
  P  P8  1  0.255923  0.681325  0.430456  1
  P  P9  1  0.864510  0.940074  0.346120  1
  P  P10  1  0.884405  0.688189  0.471120  1
  P  P11  1  0.234966  0.800502  0.278880  1
  P  P12  1  0.254861  0.548617  0.403880  1
  P  P13  1  0.914342  0.932751  0.287010  1
  P  P14  1  0.934238  0.680866  0.412010  1
  P  P15  1  0.185134  0.807825  0.337990  1
  P  P16  1  0.205029  0.555940  0.462990  1
  P  P17  1  0.626513  0.995537  0.433995  1
  P  P18  1  0.606618  0.247422  0.308995  1
  P  P19  1  0.512753  0.241269  0.441005  1
  P  P20  1  0.492858  0.493154  0.316005  1
  P  P21  1  0.599494  0.858891  0.409252  1
  P  P22  1  0.579599  0.110776  0.284252  1
  P  P23  1  0.539772  0.377915  0.465748  1
  P  P24  1  0.519877  0.629800  0.340748  1
  P  P25  1  0.739993  0.899270  0.449855  1
  P  P26  1  0.720097  0.151155  0.324855  1
  P  P27  1  0.399274  0.337536  0.425145  1
  P  P28  1  0.379379  0.589421  0.300145  1
  P  P29  1  0.538668  0.128418  0.343570  1
  P  P30  1  0.558563  0.876533  0.468570  1
  P  P31  1  0.560808  0.612158  0.281430  1
  P  P32  1  0.580703  0.360273  0.406430  1
  P  P33  1  0.036704  0.285343  0.446068  1
  P  P34  1  0.016808  0.537227  0.321068  1
  P  P35  1  0.102563  0.951463  0.428932  1
  P  P36  1  0.082668  0.203348  0.303932  1
  P  P37  1  0.943683  0.166981  0.476529  1
  P  P38  1  0.923788  0.418865  0.351529  1
  P  P39  1  0.195583  0.069826  0.398471  1
  P  P40  1  0.175688  0.321710  0.273471  1
  P  P41  1  0.925910  0.175640  0.415425  1
  P  P42  1  0.906014  0.427525  0.290425  1
  P  P43  1  0.213357  0.061166  0.459575  1
  P  P44  1  0.193462  0.313051  0.334575  1
  P  P45  1  0.847342  0.266285  0.452038  1
  P  P46  1  0.827446  0.518170  0.327038  1
  P  P47  1  0.291925  0.970521  0.422962  1
  P  P48  1  0.272030  0.222406  0.297962  1
  P  P49  1  0.772469  0.385754  0.553833  1
  P  P50  1  0.792364  0.133870  0.678833  1
  P  P51  1  0.406588  0.347282  0.571167  1
  P  P52  1  0.426483  0.095397  0.696167  1
  P  P53  1  0.903238  0.303596  0.569544  1
  P  P54  1  0.923134  0.051711  0.694544  1
  P  P55  1  0.275818  0.429440  0.555456  1
  P  P56  1  0.295714  0.177556  0.680456  1
  P  P57  1  0.904300  0.436305  0.596120  1
  P  P58  1  0.924195  0.184420  0.721120  1
  P  P59  1  0.274757  0.296732  0.528880  1
  P  P60  1  0.294652  0.044847  0.653880  1
  P  P61  1  0.954133  0.428981  0.537010  1
  P  P62  1  0.974028  0.177096  0.662010  1
  P  P63  1  0.224924  0.304055  0.587990  1
  P  P64  1  0.244819  0.052171  0.712990  1
  P  P65  1  0.666304  0.491768  0.683995  1
  P  P66  1  0.646408  0.743653  0.558995  1
  P  P67  1  0.552544  0.737499  0.691005  1
  P  P68  1  0.532648  0.989384  0.566005  1
  P  P69  1  0.639285  0.355121  0.659252  1
  P  P70  1  0.619389  0.607006  0.534252  1
  P  P71  1  0.579563  0.874146  0.715748  1
  P  P72  1  0.559667  0.126030  0.590748  1
  P  P73  1  0.779783  0.395500  0.699855  1
  P  P74  1  0.759888  0.647385  0.574855  1
  P  P75  1  0.439064  0.833767  0.675145  1
  P  P76  1  0.419169  0.085651  0.550145  1
  P  P77  1  0.578458  0.624648  0.593570  1
  P  P78  1  0.598354  0.372763  0.718570  1
  P  P79  1  0.600598  0.108388  0.531430  1
  P  P80  1  0.620494  0.856504  0.656430  1
  P  P81  1  0.076494  0.781573  0.696068  1
  P  P82  1  0.056599  0.033458  0.571068  1
  P  P83  1  0.142353  0.447694  0.678932  1
  P  P84  1  0.122458  0.699579  0.553932  1
  P  P85  1  0.983474  0.663211  0.726529  1
  P  P86  1  0.963578  0.915096  0.601529  1
  P  P87  1  0.235374  0.566056  0.648471  1
  P  P88  1  0.215478  0.817941  0.523471  1
  P  P89  1  0.965700  0.671870  0.665425  1
  P  P90  1  0.945805  0.923755  0.540425  1
  P  P91  1  0.253147  0.557396  0.709575  1
  P  P92  1  0.233252  0.809281  0.584575  1
  P  P93  1  0.887132  0.762516  0.702038  1
  P  P94  1  0.867237  0.014400  0.577038  1
  P  P95  1  0.331715  0.466751  0.672962  1
  P  P96  1  0.311820  0.718636  0.547962  1
