# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.82485043
_cell_length_b   20.26125854
_cell_length_c   47.50784180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.28433073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe108 P216'
_cell_volume   13593.2318287
_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
  Fe  Fe1  1  0.726695  0.362735  0.315525  1
  Fe  Fe2  1  0.305050  0.367600  0.295085  1
  Fe  Fe3  1  0.726695  0.029401  0.315525  1
  Fe  Fe4  1  0.305050  0.034267  0.295085  1
  Fe  Fe5  1  0.726695  0.696068  0.315525  1
  Fe  Fe6  1  0.305050  0.700934  0.295085  1
  Fe  Fe7  1  1.001035  0.540127  0.304964  1
  Fe  Fe8  1  0.449792  0.506078  0.324955  1
  Fe  Fe9  1  1.001035  0.206793  0.304964  1
  Fe  Fe10  1  0.449792  0.172745  0.324955  1
  Fe  Fe11  1  1.001035  0.873460  0.304964  1
  Fe  Fe12  1  0.449792  0.839411  0.324955  1
  Fe  Fe13  1  0.619423  0.312157  0.355021  1
  Fe  Fe14  1  0.183623  0.330496  0.336889  1
  Fe  Fe15  1  0.619423  0.978823  0.355021  1
  Fe  Fe16  1  0.183623  0.997163  0.336889  1
  Fe  Fe17  1  0.619423  0.645490  0.355021  1
  Fe  Fe18  1  0.183623  0.663829  0.336889  1
  Fe  Fe19  1  0.897609  0.490196  0.345185  1
  Fe  Fe20  1  0.334418  0.464509  0.370564  1
  Fe  Fe21  1  0.897609  0.156863  0.345185  1
  Fe  Fe22  1  0.334418  0.131175  0.370564  1
  Fe  Fe23  1  0.897609  0.823529  0.345185  1
  Fe  Fe24  1  0.334418  0.797842  0.370564  1
  Fe  Fe25  1  0.490346  0.255386  0.407922  1
  Fe  Fe26  1  0.062778  0.287331  0.378211  1
  Fe  Fe27  1  0.490346  0.922053  0.407922  1
  Fe  Fe28  1  0.062778  0.953997  0.378211  1
  Fe  Fe29  1  0.490346  0.588720  0.407922  1
  Fe  Fe30  1  0.062778  0.620664  0.378211  1
  Fe  Fe31  1  0.786513  0.442800  0.390420  1
  Fe  Fe32  1  0.216352  0.414482  0.418303  1
  Fe  Fe33  1  0.786513  0.109466  0.390420  1
  Fe  Fe34  1  0.216352  0.081149  0.418303  1
  Fe  Fe35  1  0.786513  0.776133  0.390420  1
  Fe  Fe36  1  0.216352  0.747816  0.418303  1
  Fe  Fe37  1  0.375771  0.211161  0.453471  1
  Fe  Fe38  1  0.929185  0.234065  0.431668  1
  Fe  Fe39  1  0.375771  0.877828  0.453471  1
  Fe  Fe40  1  0.929185  0.900732  0.431668  1
  Fe  Fe41  1  0.375771  0.544495  0.453471  1
  Fe  Fe42  1  0.929185  0.567399  0.431668  1
  Fe  Fe43  1  0.652151  0.386984  0.443839  1
  Fe  Fe44  1  0.102155  0.368586  0.463220  1
  Fe  Fe45  1  0.652151  0.053651  0.443839  1
  Fe  Fe46  1  0.102155  0.035253  0.463220  1
  Fe  Fe47  1  0.652151  0.720318  0.443839  1
  Fe  Fe48  1  0.102155  0.701919  0.463220  1
  Fe  Fe49  1  0.262403  0.165609  0.499083  1
  Fe  Fe50  1  0.823492  0.187687  0.476021  1
  Fe  Fe51  1  0.262403  0.832276  0.499083  1
  Fe  Fe52  1  0.823492  0.854354  0.476021  1
  Fe  Fe53  1  0.262403  0.498942  0.499083  1
  Fe  Fe54  1  0.823492  0.521021  0.476021  1
  Fe  Fe55  1  0.540811  0.342381  0.487379  1
  Fe  Fe56  1  0.968585  0.314335  0.516926  1
  Fe  Fe57  1  0.540811  0.009048  0.487379  1
  Fe  Fe58  1  0.968585  0.981002  0.516926  1
  Fe  Fe59  1  0.540811  0.675715  0.487379  1
  Fe  Fe60  1  0.968585  0.647668  0.516926  1
  Fe  Fe61  1  0.128287  0.108856  0.553441  1
  Fe  Fe62  1  0.686864  0.136072  0.528256  1
  Fe  Fe63  1  0.128287  0.775523  0.553441  1
  Fe  Fe64  1  0.686864  0.802738  0.528256  1
  Fe  Fe65  1  0.128287  0.442189  0.553441  1
  Fe  Fe66  1  0.686864  0.469405  0.528256  1
  Fe  Fe67  1  0.410182  0.290620  0.540150  1
  Fe  Fe68  1  0.858933  0.268731  0.560504  1
  Fe  Fe69  1  0.410182  0.957287  0.540150  1
  Fe  Fe70  1  0.858933  0.935397  0.560504  1
  Fe  Fe71  1  0.410182  0.623954  0.540150  1
  Fe  Fe72  1  0.858933  0.602064  0.560504  1
  Fe  Fe73  1  0.019347  0.066497  0.597232  1
  Fe  Fe74  1  0.580265  0.089251  0.572245  1
  Fe  Fe75  1  0.019347  0.733164  0.597232  1
  Fe  Fe76  1  0.580265  0.755918  0.572245  1
  Fe  Fe77  1  0.019347  0.399830  0.597232  1
  Fe  Fe78  1  0.580265  0.422585  0.572245  1
  Fe  Fe79  1  0.297123  0.242496  0.582389  1
  Fe  Fe80  1  0.723162  0.214595  0.613450  1
  Fe  Fe81  1  0.297123  0.909163  0.582389  1
  Fe  Fe82  1  0.723162  0.881262  0.613450  1
  Fe  Fe83  1  0.297123  0.575830  0.582389  1
  Fe  Fe84  1  0.723162  0.547929  0.613450  1
  Fe  Fe85  1  0.887206  0.011406  0.649378  1
  Fe  Fe86  1  0.442790  0.039898  0.624678  1
  Fe  Fe87  1  0.887206  0.678073  0.649378  1
  Fe  Fe88  1  0.442790  0.706565  0.624678  1
  Fe  Fe89  1  0.887206  0.344740  0.649378  1
  Fe  Fe90  1  0.442790  0.373232  0.624678  1
  Fe  Fe91  1  0.167135  0.194146  0.639247  1
  Fe  Fe92  1  0.611126  0.168735  0.658095  1
  Fe  Fe93  1  0.167135  0.860813  0.639247  1
  Fe  Fe94  1  0.611126  0.835401  0.658095  1
  Fe  Fe95  1  0.167135  0.527480  0.639247  1
  Fe  Fe96  1  0.611126  0.502068  0.658095  1
  Fe  Fe97  1  0.777320  0.962385  0.688572  1
  Fe  Fe98  1  0.329012  0.994299  0.663735  1
  Fe  Fe99  1  0.777320  0.629052  0.688572  1
  Fe  Fe100  1  0.329012  0.660966  0.663735  1
  Fe  Fe101  1  0.777320  0.295718  0.688572  1
  Fe  Fe102  1  0.329012  0.327632  0.663735  1
  Fe  Fe103  1  0.052935  0.147874  0.681885  1
  Fe  Fe104  1  0.504316  0.120227  0.698769  1
  Fe  Fe105  1  0.052935  0.814541  0.681885  1
  Fe  Fe106  1  0.504316  0.786894  0.698769  1
  Fe  Fe107  1  0.052935  0.481207  0.681885  1
  Fe  Fe108  1  0.504316  0.453560  0.698769  1
  P  P109  1  0.070080  0.447201  0.330723  1
  P  P110  1  0.617985  0.472898  0.307213  1
  P  P111  1  0.070080  0.113868  0.330723  1
  P  P112  1  0.617985  0.139565  0.307213  1
  P  P113  1  0.070080  0.780534  0.330723  1
  P  P114  1  0.617985  0.806231  0.307213  1
  P  P115  1  0.845156  0.581977  0.307813  1
  P  P116  1  0.414561  0.596806  0.287058  1
  P  P117  1  0.845156  0.248644  0.307813  1
  P  P118  1  0.414561  0.263473  0.287058  1
  P  P119  1  0.845156  0.915310  0.307813  1
  P  P120  1  0.414561  0.930139  0.287058  1
  P  P121  1  0.052037  0.620536  0.327680  1
  P  P122  1  0.608499  0.642582  0.305097  1
  P  P123  1  0.052037  0.287202  0.327680  1
  P  P124  1  0.608499  0.309249  0.305097  1
  P  P125  1  0.052037  0.953869  0.327680  1
  P  P126  1  0.608499  0.975916  0.305097  1
  P  P127  1  0.860708  0.411512  0.310681  1
  P  P128  1  0.415098  0.431567  0.288268  1
  P  P129  1  0.860708  0.078179  0.310681  1
  P  P130  1  0.415098  0.098234  0.288268  1
  P  P131  1  0.860708  0.744846  0.310681  1
  P  P132  1  0.415098  0.764900  0.288268  1
  P  P133  1  0.947294  0.400151  0.379472  1
  P  P134  1  0.502374  0.421364  0.358169  1
  P  P135  1  0.947294  0.066818  0.379472  1
  P  P136  1  0.502374  0.088031  0.358169  1
  P  P137  1  0.947294  0.733484  0.379472  1
  P  P138  1  0.502374  0.754697  0.358169  1
  P  P139  1  0.731441  0.530110  0.357111  1
  P  P140  1  0.283797  0.545010  0.332611  1
  P  P141  1  0.731441  0.196777  0.357111  1
  P  P142  1  0.283797  0.211677  0.332611  1
  P  P143  1  0.731441  0.863444  0.357111  1
  P  P144  1  0.283797  0.878343  0.332611  1
  P  P145  1  0.932979  0.569653  0.379181  1
  P  P146  1  0.494869  0.587840  0.355497  1
  P  P147  1  0.932979  0.236320  0.379181  1
  P  P148  1  0.494869  0.254507  0.355497  1
  P  P149  1  0.932979  0.902986  0.379181  1
  P  P150  1  0.494869  0.921174  0.355497  1
  P  P151  1  0.747799  0.359785  0.361753  1
  P  P152  1  0.312238  0.375028  0.340974  1
  P  P153  1  0.747799  0.026452  0.361753  1
  P  P154  1  0.312238  0.041695  0.340974  1
  P  P155  1  0.747799  0.693119  0.361753  1
  P  P156  1  0.312238  0.708361  0.340974  1
  P  P157  1  0.820523  0.351810  0.428823  1
  P  P158  1  0.383824  0.373468  0.406567  1
  P  P159  1  0.820523  0.018477  0.428823  1
  P  P160  1  0.383824  0.040134  0.406567  1
  P  P161  1  0.820523  0.685143  0.428823  1
  P  P162  1  0.383824  0.706801  0.406567  1
  P  P163  1  0.615310  0.477256  0.406763  1
  P  P164  1  0.168039  0.502829  0.382166  1
  P  P165  1  0.615310  0.143922  0.406763  1
  P  P166  1  0.168039  0.169496  0.382166  1
  P  P167  1  0.615310  0.810589  0.406763  1
  P  P168  1  0.168039  0.836163  0.382166  1
  P  P169  1  0.808375  0.518595  0.426077  1
  P  P170  1  0.366845  0.543089  0.402507  1
  P  P171  1  0.808375  0.185261  0.426077  1
  P  P172  1  0.366845  0.209755  0.402507  1
  P  P173  1  0.808375  0.851928  0.426077  1
  P  P174  1  0.366845  0.876422  0.402507  1
  P  P175  1  0.621708  0.309323  0.407895  1
  P  P176  1  0.184909  0.333744  0.385586  1
  P  P177  1  0.621708  0.975990  0.407895  1
  P  P178  1  0.184909  1.000410  0.385586  1
  P  P179  1  0.621708  0.642656  0.407895  1
  P  P180  1  0.184909  0.667077  0.385586  1
  P  P181  1  0.703572  0.298790  0.477476  1
  P  P182  1  0.262803  0.325812  0.453677  1
  P  P183  1  0.703572  0.965456  0.477476  1
  P  P184  1  0.262803  0.992479  0.453677  1
  P  P185  1  0.703572  0.632123  0.477476  1
  P  P186  1  0.262803  0.659145  0.453677  1
  P  P187  1  0.490089  0.431161  0.454181  1
  P  P188  1  0.049631  0.456501  0.430309  1
  P  P189  1  0.490089  0.097828  0.454181  1
  P  P190  1  0.049631  0.123167  0.430309  1
  P  P191  1  0.490089  0.764495  0.454181  1
  P  P192  1  0.049631  0.789834  0.430309  1
  P  P193  1  0.692322  0.469025  0.475847  1
  P  P194  1  0.247423  0.496245  0.450287  1
  P  P195  1  0.692322  0.135692  0.475847  1
  P  P196  1  0.247423  0.162911  0.450287  1
  P  P197  1  0.692322  0.802359  0.475847  1
  P  P198  1  0.247423  0.829578  0.450287  1
  P  P199  1  0.504627  0.259677  0.457301  1
  P  P200  1  0.059304  0.287353  0.431553  1
  P  P201  1  0.504627  0.926344  0.457301  1
  P  P202  1  0.059304  0.954020  0.431553  1
  P  P203  1  0.504627  0.593011  0.457301  1
  P  P204  1  0.059304  0.620687  0.431553  1
  P  P205  1  0.578218  0.252813  0.525447  1
  P  P206  1  0.137370  0.277581  0.500513  1
  P  P207  1  0.578218  0.919479  0.525447  1
  P  P208  1  0.137370  0.944248  0.500513  1
  P  P209  1  0.578218  0.586146  0.525447  1
  P  P210  1  0.137370  0.610914  0.500513  1
  P  P211  1  0.372248  0.380994  0.502775  1
  P  P212  1  0.933372  0.404592  0.479033  1
  P  P213  1  0.372248  0.047660  0.502775  1
  P  P214  1  0.933372  0.071259  0.479033  1
  P  P215  1  0.372248  0.714327  0.502775  1
  P  P216  1  0.933372  0.737926  0.479033  1
  P  P217  1  0.565518  0.419914  0.522741  1
  P  P218  1  0.131267  0.445148  0.499880  1
  P  P219  1  0.565518  0.086581  0.522741  1
  P  P220  1  0.131267  0.111815  0.499880  1
  P  P221  1  0.565518  0.753248  0.522741  1
  P  P222  1  0.131267  0.778481  0.499880  1
  P  P223  1  0.382921  0.213849  0.504626  1
  P  P224  1  0.944857  0.237220  0.481433  1
  P  P225  1  0.382921  0.880516  0.504626  1
  P  P226  1  0.944857  0.903886  0.481433  1
  P  P227  1  0.382921  0.547183  0.504626  1
  P  P228  1  0.944857  0.570553  0.481433  1
  P  P229  1  0.460148  0.200831  0.573776  1
  P  P230  1  0.022871  0.225815  0.550377  1
  P  P231  1  0.460148  0.867497  0.573776  1
  P  P232  1  0.022871  0.892482  0.550377  1
  P  P233  1  0.460148  0.534164  0.573776  1
  P  P234  1  0.022871  0.559149  0.550377  1
  P  P235  1  0.245439  0.332603  0.549943  1
  P  P236  1  0.806953  0.357924  0.526769  1
  P  P237  1  0.245439  0.999270  0.549943  1
  P  P238  1  0.806953  0.024591  0.526769  1
  P  P239  1  0.245439  0.665937  0.549943  1
  P  P240  1  0.806953  0.691258  0.526769  1
  P  P241  1  0.447817  0.371757  0.572088  1
  P  P242  1  0.004829  0.396565  0.547286  1
  P  P243  1  0.447817  0.038424  0.572088  1
  P  P244  1  0.004829  0.063231  0.547286  1
  P  P245  1  0.447817  0.705090  0.572088  1
  P  P246  1  0.004829  0.729898  0.547286  1
  P  P247  1  0.259161  0.161661  0.551832  1
  P  P248  1  0.818699  0.187739  0.528483  1
  P  P249  1  0.259161  0.828328  0.551832  1
  P  P250  1  0.818699  0.854405  0.528483  1
  P  P251  1  0.259161  0.494994  0.551832  1
  P  P252  1  0.818699  0.521072  0.528483  1
  P  P253  1  0.333750  0.156160  0.621565  1
  P  P254  1  0.894762  0.179157  0.597832  1
  P  P255  1  0.333750  0.822826  0.621565  1
  P  P256  1  0.894762  0.845824  0.597832  1
  P  P257  1  0.333750  0.489493  0.621565  1
  P  P258  1  0.894762  0.512490  0.597832  1
  P  P259  1  0.129158  0.281956  0.600082  1
  P  P260  1  0.689961  0.305593  0.575186  1
  P  P261  1  0.129158  0.948623  0.600082  1
  P  P262  1  0.689961  0.972259  0.575186  1
  P  P263  1  0.129158  0.615290  0.600082  1
  P  P264  1  0.689961  0.638926  0.575186  1
  P  P265  1  0.320178  0.322401  0.617419  1
  P  P266  1  0.889593  0.346205  0.596556  1
  P  P267  1  0.320178  0.989068  0.617419  1
  P  P268  1  0.889593  0.012871  0.596556  1
  P  P269  1  0.320178  0.655734  0.617419  1
  P  P270  1  0.889593  0.679538  0.596556  1
  P  P271  1  0.141059  0.116186  0.603102  1
  P  P272  1  0.702366  0.137944  0.578040  1
  P  P273  1  0.141059  0.782853  0.603102  1
  P  P274  1  0.702366  0.804611  0.578040  1
  P  P275  1  0.141059  0.449519  0.603102  1
  P  P276  1  0.702366  0.471278  0.578040  1
  P  P277  1  0.220854  0.105310  0.672717  1
  P  P278  1  0.777034  0.127258  0.646698  1
  P  P279  1  0.220854  0.771977  0.672717  1
  P  P280  1  0.777034  0.793925  0.646698  1
  P  P281  1  0.220854  0.438644  0.672717  1
  P  P282  1  0.777034  0.460591  0.646698  1
  P  P283  1  0.003980  0.234390  0.647677  1
  P  P284  1  0.561763  0.259284  0.623500  1
  P  P285  1  0.003980  0.901056  0.647677  1
  P  P286  1  0.561763  0.925951  0.623500  1
  P  P287  1  0.003980  0.567723  0.647677  1
  P  P288  1  0.561763  0.592617  0.623500  1
  P  P289  1  0.203214  0.275999  0.669670  1
  P  P290  1  0.759204  0.298529  0.642185  1
  P  P291  1  0.203214  0.942666  0.669670  1
  P  P292  1  0.759204  0.965195  0.642185  1
  P  P293  1  0.203214  0.609333  0.669670  1
  P  P294  1  0.759204  0.631862  0.642185  1
  P  P295  1  0.015900  0.065272  0.649296  1
  P  P296  1  0.573861  0.089443  0.624458  1
  P  P297  1  0.015900  0.731939  0.649296  1
  P  P298  1  0.573861  0.756109  0.624458  1
  P  P299  1  0.015900  0.398606  0.649296  1
  P  P300  1  0.573861  0.422776  0.624458  1
  P  P301  1  0.084832  0.058248  0.717528  1
  P  P302  1  0.660122  0.077837  0.695804  1
  P  P303  1  0.084832  0.724915  0.717528  1
  P  P304  1  0.660122  0.744504  0.695804  1
  P  P305  1  0.084832  0.391581  0.717528  1
  P  P306  1  0.660122  0.411170  0.695804  1
  P  P307  1  0.884089  0.183113  0.697154  1
  P  P308  1  0.439675  0.211776  0.671837  1
  P  P309  1  0.884089  0.849780  0.697154  1
  P  P310  1  0.439675  0.878443  0.671837  1
  P  P311  1  0.884089  0.516447  0.697154  1
  P  P312  1  0.439675  0.545109  0.671837  1
  P  P313  1  0.081378  0.221054  0.717174  1
  P  P314  1  0.644553  0.247986  0.692937  1
  P  P315  1  0.081378  0.887720  0.717174  1
  P  P316  1  0.644553  0.914653  0.692937  1
  P  P317  1  0.081378  0.554387  0.717174  1
  P  P318  1  0.644553  0.581320  0.692937  1
  P  P319  1  0.893928  0.014244  0.699437  1
  P  P320  1  0.455534  0.039532  0.675282  1
  P  P321  1  0.893928  0.680911  0.699437  1
  P  P322  1  0.455534  0.706199  0.675282  1
  P  P323  1  0.893928  0.347578  0.699437  1
  P  P324  1  0.455534  0.372866  0.675282  1
