# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72376432
_cell_length_b   10.36122306
_cell_length_c   50.16379433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.57656667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P84
_cell_volume   4847.4860873
_cell_formula_units_Z   84
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  0.784852  0.360728  0.258186  1
  P  P2  1  0.284852  0.360728  0.258186  1
  P  P3  1  0.135027  0.564466  0.263816  1
  P  P4  1  0.609308  1.006243  0.278795  1
  P  P5  1  0.635027  0.564466  0.263816  1
  P  P6  1  0.109308  1.006243  0.278795  1
  P  P7  1  0.461789  0.212822  0.284333  1
  P  P8  1  0.961789  0.212822  0.284333  1
  P  P9  1  0.927586  0.646346  0.299143  1
  P  P10  1  0.282998  0.855419  0.305104  1
  P  P11  1  0.427586  0.646346  0.299143  1
  P  P12  1  0.782998  0.855419  0.305104  1
  P  P13  1  0.249451  0.288347  0.321135  1
  P  P14  1  0.749451  0.288347  0.321135  1
  P  P15  1  0.603542  0.497050  0.326809  1
  P  P16  1  0.070022  0.929135  0.342156  1
  P  P17  1  0.103542  0.497050  0.326809  1
  P  P18  1  0.570022  0.929135  0.342156  1
  P  P19  1  0.924270  0.137534  0.348191  1
  P  P20  1  0.424270  0.137534  0.348191  1
  P  P21  1  0.391366  0.571863  0.363728  1
  P  P22  1  0.745767  0.780291  0.369513  1
  P  P23  1  0.891366  0.571863  0.363728  1
  P  P24  1  0.245767  0.780291  0.369513  1
  P  P25  1  0.712174  0.212907  0.385262  1
  P  P26  1  0.212174  0.212907  0.385262  1
  P  P27  1  0.066537  0.421569  0.390987  1
  P  P28  1  0.533389  0.854985  0.406565  1
  P  P29  1  0.566537  0.421569  0.390987  1
  P  P30  1  1.033389  0.854985  0.406565  1
  P  P31  1  0.387645  0.063333  0.412504  1
  P  P32  1  0.887645  0.063333  0.412504  1
  P  P33  1  0.854352  0.496584  0.428037  1
  P  P34  1  0.208716  0.705125  0.433811  1
  P  P35  1  0.354352  0.496584  0.428037  1
  P  P36  1  0.708716  0.705125  0.433811  1
  P  P37  1  0.175385  0.138261  0.449531  1
  P  P38  1  0.675385  0.138261  0.449531  1
  P  P39  1  0.529750  0.346835  0.455286  1
  P  P40  1  0.996474  0.780072  0.470858  1
  P  P41  1  1.029750  0.346835  0.455286  1
  P  P42  1  0.496474  0.780072  0.470858  1
  P  P43  1  0.850751  0.988460  0.476773  1
  P  P44  1  0.350751  0.988460  0.476773  1
  P  P45  1  0.317476  0.421697  0.492345  1
  P  P46  1  0.671840  0.630271  0.498100  1
  P  P47  1  0.817476  0.421697  0.492345  1
  P  P48  1  0.171840  0.630271  0.498100  1
  P  P49  1  0.638510  0.063407  0.513820  1
  P  P50  1  0.138510  0.063407  0.513820  1
  P  P51  1  0.992873  0.271948  0.519594  1
  P  P52  1  0.459580  0.705200  0.535128  1
  P  P53  1  0.492873  0.271948  0.519594  1
  P  P54  1  0.959580  0.705200  0.535128  1
  P  P55  1  0.313836  0.913547  0.541066  1
  P  P56  1  0.813836  0.913547  0.541066  1
  P  P57  1  0.780688  0.346964  0.556644  1
  P  P58  1  0.135051  0.555626  0.562369  1
  P  P59  1  0.280688  0.346964  0.556644  1
  P  P60  1  0.635051  0.555626  0.562369  1
  P  P61  1  0.101458  0.988242  0.578119  1
  P  P62  1  0.601458  0.988242  0.578119  1
  P  P63  1  0.455859  0.196670  0.583903  1
  P  P64  1  0.922955  0.630998  0.599440  1
  P  P65  1  0.955859  0.196670  0.583903  1
  P  P66  1  0.422955  0.630998  0.599440  1
  P  P67  1  0.777203  0.839397  0.605475  1
  P  P68  1  0.277203  0.839397  0.605475  1
  P  P69  1  0.243683  0.271483  0.620822  1
  P  P70  1  0.597774  0.480186  0.626496  1
  P  P71  1  0.743683  0.271483  0.620822  1
  P  P72  1  0.097774  0.480186  0.626496  1
  P  P73  1  0.564227  0.913113  0.642527  1
  P  P74  1  0.064227  0.913113  0.642527  1
  P  P75  1  0.919639  0.122187  0.648488  1
  P  P76  1  0.385436  0.555710  0.663298  1
  P  P77  1  0.419639  0.122187  0.648488  1
  P  P78  1  0.885436  0.555710  0.663298  1
  P  P79  1  0.237917  0.762290  0.668837  1
  P  P80  1  0.737917  0.762290  0.668837  1
  P  P81  1  0.712198  0.204066  0.683815  1
  P  P82  1  0.062373  0.407805  0.689445  1
  P  P83  1  0.212198  0.204066  0.683815  1
  P  P84  1  0.562373  0.407805  0.689445  1
