# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   50.94569412
_cell_length_b   22.65331369
_cell_length_c   45.30547893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P108
_cell_volume   52286.5453577
_cell_formula_units_Z   108
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  0.956414  0.755269  0.354624  1
  P  P2  1  0.964670  0.248115  0.339189  1
  P  P3  1  0.954854  0.619274  0.335626  1
  P  P4  1  0.954684  0.107231  0.322741  1
  P  P5  1  0.939469  0.485704  0.319307  1
  P  P6  1  -0.001537  1.009482  0.350798  1
  P  P7  1  0.007548  0.783588  0.390101  1
  P  P8  1  0.020543  0.290879  0.356557  1
  P  P9  1  0.011430  0.648322  0.364250  1
  P  P10  1  0.010979  0.145711  0.342540  1
  P  P11  1  -0.003902  0.512013  0.347966  1
  P  P12  1  0.047255  0.057589  0.394048  1
  P  P13  1  0.963337  0.659915  0.406084  1
  P  P14  1  0.956488  0.156417  0.390621  1
  P  P15  1  0.944148  0.524841  0.387484  1
  P  P16  1  0.938929  1.017183  0.373595  1
  P  P17  1  0.964385  0.386440  0.362072  1
  P  P18  1  0.966485  0.891746  0.376656  1
  P  P19  1  0.021875  0.679763  0.434870  1
  P  P20  1  0.020920  0.184979  0.405784  1
  P  P21  1  0.002897  0.542099  0.418242  1
  P  P22  1  -0.009407  0.053228  0.417790  1
  P  P23  1  0.019847  0.413076  0.392460  1
  P  P24  1  0.022418  0.925112  0.403964  1
  P  P25  1  0.951240  0.566158  0.458138  1
  P  P26  1  0.928400  0.052842  0.438812  1
  P  P27  1  0.963545  0.426541  0.432387  1
  P  P28  1  0.913114  0.916656  0.418091  1
  P  P29  1  0.925509  0.283598  0.392072  1
  P  P30  1  0.951859  0.795967  0.427196  1
  P  P31  1  0.012623  0.580590  0.486464  1
  P  P32  1  0.032111  0.116141  0.465632  1
  P  P33  1  0.021719  0.419337  0.461656  1
  P  P34  1  0.968921  0.932258  0.446771  1
  P  P35  1  -0.015711  0.298932  0.415428  1
  P  P36  1  0.009589  0.826390  0.457356  1
  P  P37  1  0.913838  0.452621  0.479830  1
  P  P38  1  0.923060  0.953925  0.491650  1
  P  P39  1  0.929099  0.317991  0.459542  1
  P  P40  1  0.902035  0.820348  0.469205  1
  P  P41  1  0.913238  0.186336  0.446622  1
  P  P42  1  0.913113  0.682580  0.450026  1
  P  P43  1  0.972982  0.463756  0.499748  1
  P  P44  1  0.024977  0.973855  0.470338  1
  P  P45  1  0.033200  0.265872  0.461598  1
  P  P46  1  0.958058  0.832447  0.501375  1
  P  P47  1  -0.024433  0.187043  0.456926  1
  P  P48  1  0.971911  0.700953  0.476475  1
  P  P49  1  0.929414  0.353573  0.528794  1
  P  P50  1  0.901859  0.857409  0.537864  1
  P  P51  1  0.941226  0.216744  0.513463  1
  P  P52  1  0.920692  0.719026  0.518135  1
  P  P53  1  0.913439  0.094234  0.506096  1
  P  P54  1  0.904427  0.582902  0.504749  1
  P  P55  1  -0.016657  0.320499  0.490987  1
  P  P56  1  -0.016992  0.949348  0.528286  1
  P  P57  1  0.007129  0.198209  0.520617  1
  P  P58  1  0.027722  0.728198  0.502808  1
  P  P59  1  -0.026156  0.059520  0.486535  1
  P  P60  1  0.963692  0.605847  0.528641  1
  P  P61  1  0.966996  0.243193  0.576785  1
  P  P62  1  0.917165  0.752801  0.585184  1
  P  P63  1  0.914838  0.151684  0.574237  1
  P  P64  1  0.912651  0.617804  0.573714  1
  P  P65  1  0.927251  1.000919  0.558580  1
  P  P66  1  0.934234  0.488672  0.553316  1
  P  P67  1  0.029604  0.283309  0.579113  1
  P  P68  1  -0.021151  0.742091  0.551788  1
  P  P69  1  0.967970  0.103374  0.550806  1
  P  P70  1  0.024320  0.638066  0.553871  1
  P  P71  1  0.025750  0.053320  0.530355  1
  P  P72  1  0.008783  0.509682  0.552109  1
  P  P73  1  0.960272  0.119136  0.622089  1
  P  P74  1  0.971946  0.624684  0.598848  1
  P  P75  1  0.927819  0.986104  0.627790  1
  P  P76  1  0.918031  0.520866  0.624197  1
  P  P77  1  0.951695  0.874915  0.577322  1
  P  P78  1  0.929951  0.374594  0.599030  1
  P  P79  1  0.019634  0.137563  0.585254  1
  P  P80  1  0.027532  0.717742  0.608341  1
  P  P81  1  -0.011150  1.000880  0.597281  1
  P  P82  1  -0.025012  0.480012  0.607831  1
  P  P83  1  0.012962  0.859353  0.591715  1
  P  P84  1  -0.014149  0.378207  0.555959  1
  P  P85  1  0.972624  0.021862  0.675289  1
  P  P86  1  0.966138  0.553329  0.666579  1
  P  P87  1  0.972645  0.896080  0.643703  1
  P  P88  1  -0.012606  0.347181  0.623518  1
  P  P89  1  0.915700  0.838187  0.639961  1
  P  P90  1  0.942076  0.257626  0.643856  1
  P  P91  1  0.021482  0.090996  0.653045  1
  P  P92  1  0.023601  0.566373  0.622778  1
  P  P93  1  0.028597  0.950050  0.650253  1
  P  P94  1  0.035938  0.425623  0.601437  1
  P  P95  1  0.970171  0.765018  0.620287  1
  P  P96  1  0.004015  0.220227  0.636826  1
  P  P97  1  0.931284  0.919752  0.695493  1
  P  P98  1  0.946310  0.413163  0.665484  1
  P  P99  1  0.958091  0.786088  0.688722  1
  P  P100  1  -0.012269  0.309877  0.691254  1
  P  P101  1  0.929677  0.669499  0.645297  1
  P  P102  1  0.972759  0.164693  0.690247  1
  P  P103  1  -0.005868  0.902286  0.709349  1
  P  P104  1  0.009990  0.447002  0.667302  1
  P  P105  1  0.019584  0.808637  0.662749  1
  P  P106  1  0.043825  0.325185  0.653428  1
  P  P107  1  -0.004678  0.673769  0.665551  1
  P  P108  1  0.033262  0.209001  0.697699  1
