# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.89133695
_cell_length_b   8.95724706
_cell_length_c   57.62722847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.81765697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P99
_cell_volume   5966.60219983
_cell_formula_units_Z   99
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  0.287269  0.884820  0.207952  1
  P  P2  1  0.953936  0.884820  0.207952  1
  P  P3  1  0.083438  0.778062  0.232317  1
  P  P4  1  0.620602  0.884820  0.207952  1
  P  P5  1  0.750105  0.778062  0.232317  1
  P  P6  1  0.700011  0.345678  0.218594  1
  P  P7  1  0.416771  0.778062  0.232317  1
  P  P8  1  0.366678  0.345678  0.218594  1
  P  P9  1  1.033345  0.345678  0.218594  1
  P  P10  1  0.493442  0.237852  0.244466  1
  P  P11  1  0.160109  0.237852  0.244466  1
  P  P12  1  0.286852  1.125724  0.270465  1
  P  P13  1  0.826776  0.237852  0.244466  1
  P  P14  1  0.953519  1.125724  0.270465  1
  P  P15  1  0.882654  0.675550  0.259312  1
  P  P16  1  0.620185  1.125724  0.270465  1
  P  P17  1  0.549320  0.675550  0.259312  1
  P  P18  1  0.215987  0.675550  0.259312  1
  P  P19  1  0.679580  0.567602  0.285129  1
  P  P20  1  0.346247  0.567602  0.285129  1
  P  P21  1  0.475859  0.458325  0.311402  1
  P  P22  1  1.012913  0.567602  0.285129  1
  P  P23  1  0.142526  0.458325  0.311402  1
  P  P24  1  0.083945  1.020097  0.297315  1
  P  P25  1  0.809192  0.458325  0.311402  1
  P  P26  1  0.750612  1.020097  0.297315  1
  P  P27  1  0.417279  1.020097  0.297315  1
  P  P28  1  0.879045  0.909931  0.323645  1
  P  P29  1  0.545711  0.909931  0.323645  1
  P  P30  1  0.674800  0.801359  0.350145  1
  P  P31  1  0.212378  0.909931  0.323645  1
  P  P32  1  0.341467  0.801359  0.350145  1
  P  P33  1  0.273642  0.352593  0.337674  1
  P  P34  1  1.008134  0.801359  0.350145  1
  P  P35  1  0.940308  0.352593  0.337674  1
  P  P36  1  0.606975  0.352593  0.337674  1
  P  P37  1  0.070381  0.244535  0.363857  1
  P  P38  1  0.737048  0.244535  0.363857  1
  P  P39  1  0.867494  1.137449  0.390099  1
  P  P40  1  0.403715  0.244535  0.363857  1
  P  P41  1  0.534160  1.137449  0.390099  1
  P  P42  1  0.470799  0.693090  0.376637  1
  P  P43  1  0.200827  1.137449  0.390099  1
  P  P44  1  0.137465  0.693090  0.376637  1
  P  P45  1  0.804132  0.693090  0.376637  1
  P  P46  1  0.266589  0.584396  0.403088  1
  P  P47  1  0.933256  0.584396  0.403088  1
  P  P48  1  0.062519  0.476019  0.429572  1
  P  P49  1  0.599923  0.584396  0.403088  1
  P  P50  1  0.729186  0.476019  0.429572  1
  P  P51  1  0.664554  1.030207  0.416330  1
  P  P52  1  0.395853  0.476019  0.429572  1
  P  P53  1  0.331221  1.030207  0.416330  1
  P  P54  1  0.997888  1.030207  0.416330  1
  P  P55  1  0.461615  0.922965  0.442561  1
  P  P56  1  0.128282  0.922965  0.442561  1
  P  P57  1  0.258727  0.815880  0.468803  1
  P  P58  1  0.794948  0.922965  0.442561  1
  P  P59  1  0.925394  0.815880  0.468803  1
  P  P60  1  0.858310  0.367325  0.456023  1
  P  P61  1  0.592060  0.815880  0.468803  1
  P  P62  1  0.524977  0.367325  0.456023  1
  P  P63  1  0.191643  0.367325  0.456023  1
  P  P64  1  0.654308  0.259056  0.482515  1
  P  P65  1  0.320975  0.259056  0.482515  1
  P  P66  1  0.450064  0.150484  0.509015  1
  P  P67  1  0.987641  0.259056  0.482515  1
  P  P68  1  0.116730  0.150484  0.509015  1
  P  P69  1  1.055467  0.707822  0.494986  1
  P  P70  1  0.783397  0.150484  0.509015  1
  P  P71  1  0.722134  0.707822  0.494986  1
  P  P72  1  0.388800  0.707822  0.494986  1
  P  P73  1  0.853250  0.602090  0.521258  1
  P  P74  1  0.519916  0.602090  0.521258  1
  P  P75  1  0.649529  0.492813  0.547531  1
  P  P76  1  0.186583  0.602090  0.521258  1
  P  P77  1  0.316195  0.492813  0.547531  1
  P  P78  1  0.245163  1.040318  0.535345  1
  P  P79  1  0.982862  0.492813  0.547531  1
  P  P80  1  0.911830  1.040318  0.535345  1
  P  P81  1  0.578497  1.040318  0.535345  1
  P  P82  1  1.042257  0.934691  0.562195  1
  P  P83  1  0.708923  0.934691  0.562195  1
  P  P84  1  0.835666  0.822563  0.588194  1
  P  P85  1  0.375590  0.934691  0.562195  1
  P  P86  1  0.502333  0.822563  0.588194  1
  P  P87  1  0.446455  0.384865  0.573348  1
  P  P88  1  0.169000  0.822563  0.588194  1
  P  P89  1  0.113121  0.384865  0.573348  1
  P  P90  1  0.779788  0.384865  0.573348  1
  P  P91  1  0.245671  0.282353  0.600343  1
  P  P92  1  0.912337  0.282353  0.600343  1
  P  P93  1  1.041840  0.175595  0.624708  1
  P  P94  1  0.579004  0.282353  0.600343  1
  P  P95  1  0.708506  0.175595  0.624708  1
  P  P96  1  0.629097  0.714737  0.614066  1
  P  P97  1  0.375173  0.175595  0.624708  1
  P  P98  1  0.295764  0.714737  0.614066  1
  P  P99  1  0.962430  0.714737  0.614066  1
