# generated using pymatgen
data_Fe180P179
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.69913493
_cell_length_b   17.46043500
_cell_length_c   17.71604364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe180P179
_chemical_formula_sum   'Fe180 P179'
_cell_volume   4856.21071656
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.149863  0.003304  0.096309  1
  Fe  Fe2  1  0.149863  0.005057  0.430311  1
  Fe  Fe3  1  0.149863  0.003627  0.764067  1
  Fe  Fe4  1  0.149863  0.336871  0.097470  1
  Fe  Fe5  1  0.149863  0.336457  0.430568  1
  Fe  Fe6  1  0.149863  0.336820  0.764144  1
  Fe  Fe7  1  0.149863  0.670204  0.097469  1
  Fe  Fe8  1  0.149863  0.670779  0.430618  1
  Fe  Fe9  1  0.149863  0.670232  0.764075  1
  Fe  Fe10  1  0.349439  0.003379  0.097838  1
  Fe  Fe11  1  0.352130  0.003774  0.431353  1
  Fe  Fe12  1  0.349843  0.003625  0.764135  1
  Fe  Fe13  1  0.349824  0.336248  0.098319  1
  Fe  Fe14  1  0.350516  0.337004  0.430983  1
  Fe  Fe15  1  0.349696  0.336806  0.764162  1
  Fe  Fe16  1  0.349961  0.670197  0.097495  1
  Fe  Fe17  1  0.349473  0.670716  0.430712  1
  Fe  Fe18  1  0.349815  0.670226  0.764073  1
  Fe  Fe19  1  0.549924  0.003458  0.097581  1
  Fe  Fe20  1  0.549619  0.003413  0.431143  1
  Fe  Fe21  1  0.549850  0.003559  0.764230  1
  Fe  Fe22  1  0.548927  0.336726  0.097643  1
  Fe  Fe23  1  0.549265  0.336992  0.430862  1
  Fe  Fe24  1  0.549806  0.336874  0.764252  1
  Fe  Fe25  1  0.549632  0.670204  0.097607  1
  Fe  Fe26  1  0.549677  0.670422  0.430793  1
  Fe  Fe27  1  0.549861  0.670197  0.764107  1
  Fe  Fe28  1  0.749801  0.003458  0.097581  1
  Fe  Fe29  1  0.750107  0.003413  0.431143  1
  Fe  Fe30  1  0.749875  0.003559  0.764230  1
  Fe  Fe31  1  0.750799  0.336726  0.097643  1
  Fe  Fe32  1  0.750461  0.336992  0.430862  1
  Fe  Fe33  1  0.749920  0.336874  0.764252  1
  Fe  Fe34  1  0.750093  0.670204  0.097607  1
  Fe  Fe35  1  0.750048  0.670422  0.430793  1
  Fe  Fe36  1  0.749865  0.670197  0.764107  1
  Fe  Fe37  1  0.950286  0.003379  0.097838  1
  Fe  Fe38  1  0.947596  0.003774  0.431353  1
  Fe  Fe39  1  0.949883  0.003625  0.764135  1
  Fe  Fe40  1  0.949901  0.336248  0.098319  1
  Fe  Fe41  1  0.949210  0.337004  0.430983  1
  Fe  Fe42  1  0.950030  0.336806  0.764162  1
  Fe  Fe43  1  0.949764  0.670197  0.097495  1
  Fe  Fe44  1  0.950253  0.670716  0.430712  1
  Fe  Fe45  1  0.949911  0.670226  0.764073  1
  Fe  Fe46  1  0.050026  0.329648  0.236461  1
  Fe  Fe47  1  0.050400  0.330246  0.569439  1
  Fe  Fe48  1  0.049867  0.330240  0.903059  1
  Fe  Fe49  1  0.049938  0.663799  0.236195  1
  Fe  Fe50  1  0.050026  0.663937  0.569366  1
  Fe  Fe51  1  0.049819  0.663652  0.902885  1
  Fe  Fe52  1  0.055358  0.999324  0.237562  1
  Fe  Fe53  1  0.049716  0.997242  0.569515  1
  Fe  Fe54  1  0.049772  0.997044  0.902878  1
  Fe  Fe55  1  0.249700  0.329648  0.236461  1
  Fe  Fe56  1  0.249326  0.330246  0.569439  1
  Fe  Fe57  1  0.249858  0.330240  0.903059  1
  Fe  Fe58  1  0.249788  0.663799  0.236195  1
  Fe  Fe59  1  0.249699  0.663937  0.569366  1
  Fe  Fe60  1  0.249906  0.663652  0.902885  1
  Fe  Fe61  1  0.244368  0.999324  0.237562  1
  Fe  Fe62  1  0.250010  0.997242  0.569515  1
  Fe  Fe63  1  0.249954  0.997044  0.902878  1
  Fe  Fe64  1  0.449528  0.329975  0.236094  1
  Fe  Fe65  1  0.449909  0.330368  0.569586  1
  Fe  Fe66  1  0.449744  0.330239  0.903190  1
  Fe  Fe67  1  0.449598  0.663949  0.236351  1
  Fe  Fe68  1  0.449581  0.663884  0.569408  1
  Fe  Fe69  1  0.449859  0.663634  0.902902  1
  Fe  Fe70  1  0.450694  0.997557  0.236821  1
  Fe  Fe71  1  0.450009  0.997089  0.569934  1
  Fe  Fe72  1  0.449730  0.997048  0.903029  1
  Fe  Fe73  1  0.649863  0.330463  0.236533  1
  Fe  Fe74  1  0.649863  0.330541  0.569692  1
  Fe  Fe75  1  0.649863  0.330335  0.903102  1
  Fe  Fe76  1  0.649863  0.663858  0.236381  1
  Fe  Fe77  1  0.649863  0.663813  0.569508  1
  Fe  Fe78  1  0.649863  0.663634  0.902980  1
  Fe  Fe79  1  0.649863  0.996822  0.236183  1
  Fe  Fe80  1  0.649863  0.997119  0.569659  1
  Fe  Fe81  1  0.649863  0.997074  0.903048  1
  Fe  Fe82  1  0.850197  0.329975  0.236094  1
  Fe  Fe83  1  0.849817  0.330368  0.569586  1
  Fe  Fe84  1  0.849981  0.330239  0.903190  1
  Fe  Fe85  1  0.850128  0.663949  0.236351  1
  Fe  Fe86  1  0.850144  0.663884  0.569408  1
  Fe  Fe87  1  0.849867  0.663634  0.902902  1
  Fe  Fe88  1  0.849031  0.997557  0.236821  1
  Fe  Fe89  1  0.849716  0.997089  0.569934  1
  Fe  Fe90  1  0.849996  0.997048  0.903029  1
  Fe  Fe91  1  0.061691  0.158437  0.268101  1
  Fe  Fe92  1  0.050260  0.163622  0.596747  1
  Fe  Fe93  1  0.049884  0.163573  0.931085  1
  Fe  Fe94  1  0.049950  0.496919  0.264217  1
  Fe  Fe95  1  0.049946  0.497019  0.597396  1
  Fe  Fe96  1  0.049817  0.496943  0.930837  1
  Fe  Fe97  1  0.050162  0.831288  0.264216  1
  Fe  Fe98  1  0.050136  0.830608  0.597346  1
  Fe  Fe99  1  0.049794  0.830342  0.930766  1
  Fe  Fe100  1  0.238034  0.158437  0.268101  1
  Fe  Fe101  1  0.249466  0.163622  0.596747  1
  Fe  Fe102  1  0.249841  0.163573  0.931085  1
  Fe  Fe103  1  0.249775  0.496919  0.264217  1
  Fe  Fe104  1  0.249779  0.497019  0.597396  1
  Fe  Fe105  1  0.249909  0.496943  0.930837  1
  Fe  Fe106  1  0.249563  0.831288  0.264216  1
  Fe  Fe107  1  0.249589  0.830608  0.597346  1
  Fe  Fe108  1  0.249931  0.830342  0.930766  1
  Fe  Fe109  1  0.455185  0.163353  0.264461  1
  Fe  Fe110  1  0.449960  0.163721  0.597545  1
  Fe  Fe111  1  0.449702  0.163613  0.931089  1
  Fe  Fe112  1  0.449667  0.497046  0.264258  1
  Fe  Fe113  1  0.449764  0.497122  0.597486  1
  Fe  Fe114  1  0.449802  0.496927  0.930910  1
  Fe  Fe115  1  0.448825  0.830996  0.264206  1
  Fe  Fe116  1  0.449624  0.830483  0.597327  1
  Fe  Fe117  1  0.449894  0.830322  0.930794  1
  Fe  Fe118  1  0.649863  0.163678  0.264344  1
  Fe  Fe119  1  0.649863  0.163785  0.597579  1
  Fe  Fe120  1  0.649863  0.163740  0.931057  1
  Fe  Fe121  1  0.649863  0.497163  0.264194  1
  Fe  Fe122  1  0.649863  0.497154  0.597430  1
  Fe  Fe123  1  0.649863  0.496950  0.930953  1
  Fe  Fe124  1  0.649863  0.830377  0.264338  1
  Fe  Fe125  1  0.649863  0.830377  0.597477  1
  Fe  Fe126  1  0.649863  0.830327  0.930819  1
  Fe  Fe127  1  0.844541  0.163353  0.264461  1
  Fe  Fe128  1  0.849765  0.163721  0.597545  1
  Fe  Fe129  1  0.850024  0.163613  0.931089  1
  Fe  Fe130  1  0.850058  0.497046  0.264258  1
  Fe  Fe131  1  0.849962  0.497122  0.597486  1
  Fe  Fe132  1  0.849924  0.496927  0.930910  1
  Fe  Fe133  1  0.850900  0.830996  0.264206  1
  Fe  Fe134  1  0.850101  0.830483  0.597327  1
  Fe  Fe135  1  0.849832  0.830322  0.930794  1
  Fe  Fe136  1  0.149863  0.170020  0.069588  1
  Fe  Fe137  1  0.149863  0.166645  0.398823  1
  Fe  Fe138  1  0.149863  0.170314  0.736058  1
  Fe  Fe139  1  0.149863  0.503508  0.069609  1
  Fe  Fe140  1  0.149863  0.503575  0.402853  1
  Fe  Fe141  1  0.149863  0.503511  0.736212  1
  Fe  Fe142  1  0.149863  0.836547  0.069127  1
  Fe  Fe143  1  0.149863  0.838184  0.402134  1
  Fe  Fe144  1  0.149863  0.836978  0.736162  1
  Fe  Fe145  1  0.349297  0.169805  0.070735  1
  Fe  Fe146  1  0.351431  0.170106  0.402811  1
  Fe  Fe147  1  0.349723  0.170233  0.736301  1
  Fe  Fe148  1  0.349852  0.503501  0.069629  1
  Fe  Fe149  1  0.349727  0.503715  0.402820  1
  Fe  Fe150  1  0.349796  0.503515  0.736211  1
  Fe  Fe151  1  0.349932  0.836936  0.069736  1
  Fe  Fe152  1  0.347991  0.838002  0.402366  1
  Fe  Fe153  1  0.349811  0.836930  0.736171  1
  Fe  Fe154  1  0.549645  0.170050  0.069764  1
  Fe  Fe155  1  0.549650  0.170167  0.403049  1
  Fe  Fe156  1  0.549810  0.170242  0.736388  1
  Fe  Fe157  1  0.549694  0.503425  0.069762  1
  Fe  Fe158  1  0.549708  0.503708  0.402865  1
  Fe  Fe159  1  0.549798  0.503542  0.736279  1
  Fe  Fe160  1  0.549823  0.836807  0.069643  1
  Fe  Fe161  1  0.549529  0.837103  0.402839  1
  Fe  Fe162  1  0.549830  0.836887  0.736218  1
  Fe  Fe163  1  0.750080  0.170050  0.069764  1
  Fe  Fe164  1  0.750075  0.170167  0.403049  1
  Fe  Fe165  1  0.749916  0.170242  0.736388  1
  Fe  Fe166  1  0.750032  0.503425  0.069762  1
  Fe  Fe167  1  0.750017  0.503708  0.402865  1
  Fe  Fe168  1  0.749928  0.503542  0.736279  1
  Fe  Fe169  1  0.749903  0.836807  0.069643  1
  Fe  Fe170  1  0.750197  0.837103  0.402839  1
  Fe  Fe171  1  0.749895  0.836887  0.736218  1
  Fe  Fe172  1  0.950428  0.169805  0.070735  1
  Fe  Fe173  1  0.948294  0.170106  0.402811  1
  Fe  Fe174  1  0.950002  0.170233  0.736301  1
  Fe  Fe175  1  0.949873  0.503501  0.069629  1
  Fe  Fe176  1  0.949998  0.503715  0.402820  1
  Fe  Fe177  1  0.949930  0.503515  0.736211  1
  Fe  Fe178  1  0.949794  0.836936  0.069736  1
  Fe  Fe179  1  0.951735  0.838002  0.402366  1
  Fe  Fe180  1  0.949914  0.836930  0.736171  1
  P  P181  1  0.149863  0.077568  0.640875  1
  P  P182  1  0.149863  0.077485  0.974562  1
  P  P183  1  0.149863  0.410516  0.307796  1
  P  P184  1  0.149863  0.410760  0.640998  1
  P  P185  1  0.149863  0.410710  0.974487  1
  P  P186  1  0.149863  0.744761  0.307521  1
  P  P187  1  0.149863  0.744281  0.640979  1
  P  P188  1  0.149863  0.744090  0.974377  1
  P  P189  1  0.345284  0.078869  0.306814  1
  P  P190  1  0.349736  0.077696  0.640982  1
  P  P191  1  0.349775  0.077501  0.974811  1
  P  P192  1  0.349755  0.410611  0.307734  1
  P  P193  1  0.349788  0.410797  0.641070  1
  P  P194  1  0.349823  0.410631  0.974702  1
  P  P195  1  0.349455  0.744794  0.307730  1
  P  P196  1  0.349725  0.744285  0.640977  1
  P  P197  1  0.349915  0.744120  0.974437  1
  P  P198  1  0.550084  0.076729  0.308390  1
  P  P199  1  0.549872  0.077564  0.641236  1
  P  P200  1  0.549754  0.077507  0.974671  1
  P  P201  1  0.549754  0.410939  0.307815  1
  P  P202  1  0.549839  0.410912  0.641174  1
  P  P203  1  0.549783  0.410670  0.974668  1
  P  P204  1  0.549567  0.744492  0.307834  1
  P  P205  1  0.549768  0.744217  0.641029  1
  P  P206  1  0.549863  0.744097  0.974528  1
  P  P207  1  0.749642  0.076729  0.308390  1
  P  P208  1  0.749853  0.077564  0.641236  1
  P  P209  1  0.749971  0.077507  0.974671  1
  P  P210  1  0.749972  0.410939  0.307815  1
  P  P211  1  0.749887  0.410912  0.641174  1
  P  P212  1  0.749942  0.410670  0.974668  1
  P  P213  1  0.750159  0.744492  0.307834  1
  P  P214  1  0.749958  0.744217  0.641029  1
  P  P215  1  0.749862  0.744097  0.974528  1
  P  P216  1  0.954441  0.078869  0.306814  1
  P  P217  1  0.949990  0.077696  0.640982  1
  P  P218  1  0.949950  0.077501  0.974811  1
  P  P219  1  0.949970  0.410611  0.307734  1
  P  P220  1  0.949937  0.410797  0.641070  1
  P  P221  1  0.949903  0.410631  0.974702  1
  P  P222  1  0.950271  0.744794  0.307730  1
  P  P223  1  0.950001  0.744285  0.640977  1
  P  P224  1  0.949811  0.744120  0.974437  1
  P  P225  1  0.049785  0.256265  0.026273  1
  P  P226  1  0.048907  0.256560  0.359782  1
  P  P227  1  0.049991  0.256322  0.692318  1
  P  P228  1  0.049858  0.589695  0.025953  1
  P  P229  1  0.049981  0.590022  0.359232  1
  P  P230  1  0.049900  0.589787  0.692531  1
  P  P231  1  0.049780  0.922995  0.025860  1
  P  P232  1  0.051407  0.927884  0.358131  1
  P  P233  1  0.049878  0.923185  0.692541  1
  P  P234  1  0.249941  0.256265  0.026273  1
  P  P235  1  0.250819  0.256560  0.359782  1
  P  P236  1  0.249734  0.256322  0.692318  1
  P  P237  1  0.249868  0.589695  0.025953  1
  P  P238  1  0.249744  0.590022  0.359232  1
  P  P239  1  0.249826  0.589787  0.692531  1
  P  P240  1  0.249945  0.922995  0.025860  1
  P  P241  1  0.248319  0.927884  0.358131  1
  P  P242  1  0.249847  0.923185  0.692541  1
  P  P243  1  0.449427  0.256018  0.026489  1
  P  P244  1  0.449788  0.256194  0.358951  1
  P  P245  1  0.449746  0.256416  0.692675  1
  P  P246  1  0.449834  0.589682  0.026007  1
  P  P247  1  0.449660  0.590061  0.359252  1
  P  P248  1  0.449803  0.589796  0.692544  1
  P  P249  1  0.449905  0.923058  0.026020  1
  P  P250  1  0.449027  0.923566  0.359068  1
  P  P251  1  0.449784  0.923125  0.692558  1
  P  P252  1  0.649863  0.256453  0.026082  1
  P  P253  1  0.649863  0.256831  0.359865  1
  P  P254  1  0.649863  0.256458  0.692762  1
  P  P255  1  0.649863  0.589636  0.026088  1
  P  P256  1  0.649863  0.589955  0.359265  1
  P  P257  1  0.649863  0.589778  0.692574  1
  P  P258  1  0.649863  0.922984  0.025943  1
  P  P259  1  0.649863  0.922770  0.359523  1
  P  P260  1  0.649863  0.923082  0.692643  1
  P  P261  1  0.850298  0.256018  0.026489  1
  P  P262  1  0.849938  0.256194  0.358951  1
  P  P263  1  0.849980  0.256416  0.692675  1
  P  P264  1  0.849891  0.589682  0.026007  1
  P  P265  1  0.850066  0.590061  0.359252  1
  P  P266  1  0.849923  0.589796  0.692544  1
  P  P267  1  0.849820  0.923058  0.026020  1
  P  P268  1  0.850698  0.923566  0.359068  1
  P  P269  1  0.849941  0.923125  0.692558  1
  P  P270  1  0.050383  0.089401  0.142307  1
  P  P271  1  0.050237  0.089523  0.473233  1
  P  P272  1  0.049909  0.089792  0.807753  1
  P  P273  1  0.049861  0.423099  0.141160  1
  P  P274  1  0.049852  0.423028  0.474345  1
  P  P275  1  0.049883  0.423008  0.807808  1
  P  P276  1  0.049742  0.756399  0.141078  1
  P  P277  1  0.050148  0.757178  0.474069  1
  P  P278  1  0.049882  0.756437  0.807726  1
  P  P279  1  0.249342  0.089401  0.142307  1
  P  P280  1  0.249489  0.089523  0.473233  1
  P  P281  1  0.249817  0.089792  0.807753  1
  P  P282  1  0.249864  0.423099  0.141160  1
  P  P283  1  0.249874  0.423028  0.474345  1
  P  P284  1  0.249843  0.423008  0.807808  1
  P  P285  1  0.249984  0.756399  0.141078  1
  P  P286  1  0.249577  0.757178  0.474069  1
  P  P287  1  0.249843  0.756437  0.807726  1
  P  P288  1  0.449581  0.089365  0.141729  1
  P  P289  1  0.449908  0.089922  0.474524  1
  P  P290  1  0.449838  0.089740  0.807886  1
  P  P291  1  0.449605  0.422947  0.141365  1
  P  P292  1  0.449789  0.423316  0.474528  1
  P  P293  1  0.449800  0.423000  0.807881  1
  P  P294  1  0.449696  0.756720  0.141309  1
  P  P295  1  0.449499  0.756790  0.474179  1
  P  P296  1  0.449859  0.756396  0.807726  1
  P  P297  1  0.649863  0.089661  0.141115  1
  P  P298  1  0.649863  0.089809  0.474503  1
  P  P299  1  0.649863  0.089782  0.807977  1
  P  P300  1  0.649863  0.422931  0.141154  1
  P  P301  1  0.649863  0.423163  0.474404  1
  P  P302  1  0.649863  0.423037  0.807909  1
  P  P303  1  0.649863  0.756287  0.141211  1
  P  P304  1  0.649863  0.756394  0.474444  1
  P  P305  1  0.649863  0.756386  0.807789  1
  P  P306  1  0.850145  0.089365  0.141729  1
  P  P307  1  0.849818  0.089922  0.474524  1
  P  P308  1  0.849887  0.089740  0.807886  1
  P  P309  1  0.850121  0.422947  0.141365  1
  P  P310  1  0.849937  0.423316  0.474528  1
  P  P311  1  0.849925  0.423000  0.807881  1
  P  P312  1  0.850029  0.756720  0.141309  1
  P  P313  1  0.850227  0.756790  0.474179  1
  P  P314  1  0.849866  0.756396  0.807726  1
  P  P315  1  0.149863  0.244738  0.192242  1
  P  P316  1  0.149863  0.243270  0.524210  1
  P  P317  1  0.149863  0.244121  0.859363  1
  P  P318  1  0.149863  0.577500  0.192646  1
  P  P319  1  0.149863  0.577590  0.525821  1
  P  P320  1  0.149863  0.577451  0.859265  1
  P  P321  1  0.149863  0.910000  0.191564  1
  P  P322  1  0.149863  0.911483  0.525465  1
  P  P323  1  0.149863  0.910886  0.859238  1
  P  P324  1  0.348560  0.241978  0.194664  1
  P  P325  1  0.349772  0.244068  0.526095  1
  P  P326  1  0.349797  0.244077  0.859483  1
  P  P327  1  0.349786  0.577547  0.192685  1
  P  P328  1  0.349696  0.577651  0.525858  1
  P  P329  1  0.349857  0.577437  0.859259  1
  P  P330  1  0.349179  0.911997  0.192898  1
  P  P331  1  0.349559  0.911041  0.525659  1
  P  P332  1  0.349875  0.910825  0.859256  1
  P  P333  1  0.550264  0.244476  0.192398  1
  P  P334  1  0.549923  0.244272  0.526007  1
  P  P335  1  0.549785  0.244170  0.859471  1
  P  P336  1  0.549793  0.577542  0.192696  1
  P  P337  1  0.549777  0.577677  0.525881  1
  P  P338  1  0.549846  0.577434  0.859320  1
  P  P339  1  0.549852  0.910624  0.192632  1
  P  P340  1  0.549867  0.910761  0.525997  1
  P  P341  1  0.549844  0.910845  0.859305  1
  P  P342  1  0.749461  0.244476  0.192398  1
  P  P343  1  0.749802  0.244272  0.526007  1
  P  P344  1  0.749940  0.244170  0.859471  1
  P  P345  1  0.749933  0.577542  0.192696  1
  P  P346  1  0.749949  0.577677  0.525881  1
  P  P347  1  0.749879  0.577434  0.859320  1
  P  P348  1  0.749873  0.910624  0.192632  1
  P  P349  1  0.749858  0.910761  0.525997  1
  P  P350  1  0.749882  0.910845  0.859305  1
  P  P351  1  0.951166  0.241978  0.194664  1
  P  P352  1  0.949953  0.244068  0.526095  1
  P  P353  1  0.949928  0.244077  0.859483  1
  P  P354  1  0.949939  0.577547  0.192685  1
  P  P355  1  0.950029  0.577651  0.525858  1
  P  P356  1  0.949868  0.577437  0.859259  1
  P  P357  1  0.950547  0.911997  0.192898  1
  P  P358  1  0.950166  0.911041  0.525659  1
  P  P359  1  0.949850  0.910825  0.859256  1
