# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.50133221
_cell_length_b   13.35374274
_cell_length_c   47.67439643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.87110602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe192 P192'
_cell_volume   11629.3453784
_cell_formula_units_Z   192
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  0.433347  0.106908  0.301026  1
  Fe  Fe2  1  0.772535  0.136509  0.283296  1
  Fe  Fe3  1  0.077445  0.073107  0.318943  1
  Fe  Fe4  1  0.433347  0.606908  0.301026  1
  Fe  Fe5  1  0.772535  0.636509  0.283296  1
  Fe  Fe6  1  0.077445  0.573107  0.318943  1
  Fe  Fe7  1  0.723753  0.257345  0.331282  1
  Fe  Fe8  1  0.077474  0.290806  0.315324  1
  Fe  Fe9  1  0.425979  0.329294  0.297158  1
  Fe  Fe10  1  0.723753  0.757345  0.331282  1
  Fe  Fe11  1  0.077474  0.790806  0.315324  1
  Fe  Fe12  1  0.425979  0.829294  0.297158  1
  Fe  Fe13  1  0.571576  0.324510  0.316600  1
  Fe  Fe14  1  0.922316  0.362644  0.301288  1
  Fe  Fe15  1  0.274178  0.389915  0.283491  1
  Fe  Fe16  1  0.571576  0.824510  0.316600  1
  Fe  Fe17  1  0.922316  0.862644  0.301288  1
  Fe  Fe18  1  0.274178  0.889915  0.283491  1
  Fe  Fe19  1  0.578627  0.042625  0.314142  1
  Fe  Fe20  1  0.924032  0.070107  0.296562  1
  Fe  Fe21  1  0.230333  0.007022  0.330628  1
  Fe  Fe22  1  0.578627  0.542625  0.314142  1
  Fe  Fe23  1  0.924032  0.570107  0.296562  1
  Fe  Fe24  1  0.230333  0.507022  0.330628  1
  Fe  Fe25  1  0.378289  0.011242  0.352162  1
  Fe  Fe26  1  0.726381  0.041369  0.333942  1
  Fe  Fe27  1  0.031397  0.975768  0.371973  1
  Fe  Fe28  1  0.378289  0.511242  0.352162  1
  Fe  Fe29  1  0.726381  0.541369  0.333942  1
  Fe  Fe30  1  0.031397  0.475768  0.371973  1
  Fe  Fe31  1  0.680269  0.160077  0.385098  1
  Fe  Fe32  1  0.029101  0.194257  0.365586  1
  Fe  Fe33  1  0.377112  0.228584  0.346962  1
  Fe  Fe34  1  0.680269  0.660077  0.385098  1
  Fe  Fe35  1  0.029101  0.694257  0.365586  1
  Fe  Fe36  1  0.377112  0.728584  0.346962  1
  Fe  Fe37  1  0.524626  0.228404  0.371898  1
  Fe  Fe38  1  0.875309  0.262884  0.352434  1
  Fe  Fe39  1  0.225049  0.297300  0.330986  1
  Fe  Fe40  1  0.524626  0.728404  0.371898  1
  Fe  Fe41  1  0.875309  0.762884  0.352434  1
  Fe  Fe42  1  0.225049  0.797300  0.330986  1
  Fe  Fe43  1  0.534467  0.942531  0.367702  1
  Fe  Fe44  1  0.882591  0.973865  0.349244  1
  Fe  Fe45  1  0.186625  0.907460  0.385565  1
  Fe  Fe46  1  0.534467  0.442531  0.367702  1
  Fe  Fe47  1  0.882591  0.473865  0.349244  1
  Fe  Fe48  1  0.186625  0.407460  0.385565  1
  Fe  Fe49  1  0.333589  0.909031  0.408798  1
  Fe  Fe50  1  0.682402  0.942322  0.390455  1
  Fe  Fe51  1  0.985403  0.875557  0.427264  1
  Fe  Fe52  1  0.333589  0.409031  0.408798  1
  Fe  Fe53  1  0.682402  0.442322  0.390455  1
  Fe  Fe54  1  0.985403  0.375557  0.427264  1
  Fe  Fe55  1  0.634770  0.060159  0.440771  1
  Fe  Fe56  1  0.983078  0.092646  0.422385  1
  Fe  Fe57  1  0.331343  0.126441  0.403291  1
  Fe  Fe58  1  0.634770  0.560159  0.440771  1
  Fe  Fe59  1  0.983078  0.592646  0.422385  1
  Fe  Fe60  1  0.331343  0.626441  0.403291  1
  Fe  Fe61  1  0.479151  0.127568  0.426786  1
  Fe  Fe62  1  0.828045  0.159557  0.408234  1
  Fe  Fe63  1  0.176098  0.190025  0.391421  1
  Fe  Fe64  1  0.479151  0.627568  0.426786  1
  Fe  Fe65  1  0.828045  0.659557  0.408234  1
  Fe  Fe66  1  0.176098  0.690025  0.391421  1
  Fe  Fe67  1  0.488687  0.842822  0.422761  1
  Fe  Fe68  1  0.837861  0.875974  0.403783  1
  Fe  Fe69  1  0.140504  0.808369  0.441385  1
  Fe  Fe70  1  0.488687  0.342822  0.422761  1
  Fe  Fe71  1  0.837861  0.375974  0.403783  1
  Fe  Fe72  1  0.140504  0.308369  0.441385  1
  Fe  Fe73  1  0.288069  0.808654  0.464378  1
  Fe  Fe74  1  0.636732  0.842277  0.446011  1
  Fe  Fe75  1  0.939502  0.775454  0.482899  1
  Fe  Fe76  1  0.288069  0.308654  0.464378  1
  Fe  Fe77  1  0.636732  0.342277  0.446011  1
  Fe  Fe78  1  0.939502  0.275454  0.482899  1
  Fe  Fe79  1  0.588974  0.960045  0.496050  1
  Fe  Fe80  1  0.937653  0.993375  0.477339  1
  Fe  Fe81  1  0.285934  0.026436  0.459336  1
  Fe  Fe82  1  0.588974  0.460045  0.496050  1
  Fe  Fe83  1  0.937653  0.493375  0.477339  1
  Fe  Fe84  1  0.285934  0.526436  0.459336  1
  Fe  Fe85  1  0.433544  0.026735  0.482359  1
  Fe  Fe86  1  0.782402  0.060042  0.463622  1
  Fe  Fe87  1  0.130938  0.093021  0.445321  1
  Fe  Fe88  1  0.433544  0.526735  0.482359  1
  Fe  Fe89  1  0.782402  0.560042  0.463622  1
  Fe  Fe90  1  0.130938  0.593021  0.445321  1
  Fe  Fe91  1  0.443219  0.742198  0.478333  1
  Fe  Fe92  1  0.792012  0.775398  0.459782  1
  Fe  Fe93  1  0.094754  0.708821  0.496871  1
  Fe  Fe94  1  0.443219  0.242198  0.478333  1
  Fe  Fe95  1  0.792012  0.275398  0.459782  1
  Fe  Fe96  1  0.094754  0.208821  0.496871  1
  Fe  Fe97  1  0.242247  0.708704  0.520250  1
  Fe  Fe98  1  0.590927  0.742034  0.501540  1
  Fe  Fe99  1  0.893966  0.675643  0.538253  1
  Fe  Fe100  1  0.242247  0.208704  0.520250  1
  Fe  Fe101  1  0.590927  0.242034  0.501540  1
  Fe  Fe102  1  0.893966  0.175643  0.538253  1
  Fe  Fe103  1  0.543168  0.859802  0.551579  1
  Fe  Fe104  1  0.891831  0.893425  0.533212  1
  Fe  Fe105  1  0.240398  0.926625  0.514691  1
  Fe  Fe106  1  0.543168  0.359802  0.551579  1
  Fe  Fe107  1  0.891831  0.393425  0.533212  1
  Fe  Fe108  1  0.240398  0.426625  0.514691  1
  Fe  Fe109  1  0.387888  0.926681  0.537808  1
  Fe  Fe110  1  0.736682  0.959881  0.519257  1
  Fe  Fe111  1  0.085146  0.993258  0.500719  1
  Fe  Fe112  1  0.387888  0.426681  0.537808  1
  Fe  Fe113  1  0.736682  0.459881  0.519257  1
  Fe  Fe114  1  0.085146  0.493258  0.500719  1
  Fe  Fe115  1  0.397498  0.642037  0.533968  1
  Fe  Fe116  1  0.746357  0.675344  0.515231  1
  Fe  Fe117  1  0.048963  0.609058  0.552269  1
  Fe  Fe118  1  0.397498  0.142037  0.533968  1
  Fe  Fe119  1  0.746357  0.175344  0.515231  1
  Fe  Fe120  1  0.048963  0.109058  0.552269  1
  Fe  Fe121  1  0.196823  0.609433  0.575205  1
  Fe  Fe122  1  0.545130  0.641920  0.556819  1
  Fe  Fe123  1  0.848558  0.575638  0.594299  1
  Fe  Fe124  1  0.196823  0.109433  0.575205  1
  Fe  Fe125  1  0.545130  0.141920  0.556819  1
  Fe  Fe126  1  0.848558  0.075638  0.594299  1
  Fe  Fe127  1  0.497498  0.759757  0.607135  1
  Fe  Fe128  1  0.846311  0.793048  0.588792  1
  Fe  Fe129  1  0.194497  0.826522  0.570326  1
  Fe  Fe130  1  0.497498  0.259757  0.607135  1
  Fe  Fe131  1  0.846311  0.293048  0.588792  1
  Fe  Fe132  1  0.194497  0.326522  0.570326  1
  Fe  Fe133  1  0.342039  0.826105  0.593807  1
  Fe  Fe134  1  0.691213  0.859257  0.574829  1
  Fe  Fe135  1  0.039396  0.893710  0.556205  1
  Fe  Fe136  1  0.342039  0.326105  0.593807  1
  Fe  Fe137  1  0.691213  0.359257  0.574829  1
  Fe  Fe138  1  0.039396  0.393710  0.556205  1
  Fe  Fe139  1  0.351855  0.542522  0.589356  1
  Fe  Fe140  1  0.700749  0.574511  0.570804  1
  Fe  Fe141  1  0.003802  0.512054  0.606168  1
  Fe  Fe142  1  0.351855  0.042522  0.589356  1
  Fe  Fe143  1  0.700749  0.074511  0.570804  1
  Fe  Fe144  1  0.003802  0.012054  0.606168  1
  Fe  Fe145  1  0.150800  0.507822  0.632004  1
  Fe  Fe146  1  0.499631  0.542002  0.612492  1
  Fe  Fe147  1  0.802788  0.473495  0.650628  1
  Fe  Fe148  1  0.150800  0.007822  0.632004  1
  Fe  Fe149  1  0.499631  0.042002  0.612492  1
  Fe  Fe150  1  0.802788  0.973495  0.650628  1
  Fe  Fe151  1  0.453519  0.660710  0.663648  1
  Fe  Fe152  1  0.801611  0.690837  0.645428  1
  Fe  Fe153  1  0.148504  0.726311  0.625617  1
  Fe  Fe154  1  0.453519  0.160710  0.663648  1
  Fe  Fe155  1  0.801611  0.190837  0.645428  1
  Fe  Fe156  1  0.148504  0.226311  0.625617  1
  Fe  Fe157  1  0.297309  0.728214  0.648346  1
  Fe  Fe158  1  0.645433  0.759548  0.629888  1
  Fe  Fe159  1  0.993275  0.794619  0.612025  1
  Fe  Fe160  1  0.297309  0.228214  0.648346  1
  Fe  Fe161  1  0.645433  0.259548  0.629888  1
  Fe  Fe162  1  0.993275  0.294619  0.612025  1
  Fe  Fe163  1  0.304591  0.439195  0.645156  1
  Fe  Fe164  1  0.655274  0.473675  0.625692  1
  Fe  Fe165  1  0.954851  0.404779  0.666604  1
  Fe  Fe166  1  0.304591  0.939195  0.645156  1
  Fe  Fe167  1  0.655274  0.973675  0.625692  1
  Fe  Fe168  1  0.954851  0.904779  0.666604  1
  Fe  Fe169  1  0.102426  0.411273  0.682266  1
  Fe  Fe170  1  0.456148  0.444734  0.666308  1
  Fe  Fe171  1  0.753921  0.372786  0.700432  1
  Fe  Fe172  1  0.102426  0.911273  0.682266  1
  Fe  Fe173  1  0.456148  0.944734  0.666308  1
  Fe  Fe174  1  0.753921  0.872786  0.700432  1
  Fe  Fe175  1  0.407366  0.565570  0.714294  1
  Fe  Fe176  1  0.746554  0.595171  0.696564  1
  Fe  Fe177  1  0.102455  0.628972  0.678647  1
  Fe  Fe178  1  0.407366  0.065570  0.714294  1
  Fe  Fe179  1  0.746554  0.095171  0.696564  1
  Fe  Fe180  1  0.102455  0.128972  0.678647  1
  Fe  Fe181  1  0.255868  0.631972  0.701028  1
  Fe  Fe182  1  0.601274  0.659454  0.683448  1
  Fe  Fe183  1  0.949568  0.695057  0.666962  1
  Fe  Fe184  1  0.255868  0.131972  0.701028  1
  Fe  Fe185  1  0.601274  0.159454  0.683448  1
  Fe  Fe186  1  0.949568  0.195057  0.666962  1
  Fe  Fe187  1  0.257584  0.339435  0.696302  1
  Fe  Fe188  1  0.608324  0.377569  0.680990  1
  Fe  Fe189  1  0.905722  0.312164  0.714099  1
  Fe  Fe190  1  0.257584  0.839435  0.696302  1
  Fe  Fe191  1  0.608324  0.877569  0.680990  1
  Fe  Fe192  1  0.905722  0.812164  0.714099  1
  P  P193  1  0.515543  0.449616  0.282352  1
  P  P194  1  0.810553  0.380484  0.319380  1
  P  P195  1  0.157736  0.418216  0.298270  1
  P  P196  1  0.515543  0.949616  0.282352  1
  P  P197  1  0.810553  0.880484  0.319380  1
  P  P198  1  0.157736  0.918216  0.298270  1
  P  P199  1  0.685099  0.032756  0.282899  1
  P  P200  1  0.995417  0.956513  0.322707  1
  P  P201  1  0.341406  0.997797  0.301352  1
  P  P202  1  0.685099  0.532756  0.282899  1
  P  P203  1  0.995417  0.456513  0.322707  1
  P  P204  1  0.341406  0.497797  0.301352  1
  P  P205  1  0.523040  0.198352  0.283290  1
  P  P206  1  0.825503  0.130129  0.324322  1
  P  P207  1  0.172525  0.161652  0.300512  1
  P  P208  1  0.523040  0.698352  0.283290  1
  P  P209  1  0.825503  0.630129  0.324322  1
  P  P210  1  0.172525  0.661652  0.300512  1
  P  P211  1  0.682505  0.284312  0.282945  1
  P  P212  1  0.980045  0.208123  0.317190  1
  P  P213  1  0.331852  0.239600  0.298390  1
  P  P214  1  0.682505  0.784312  0.282945  1
  P  P215  1  0.980045  0.708123  0.317190  1
  P  P216  1  0.331852  0.739600  0.298390  1
  P  P217  1  0.463980  0.349494  0.341237  1
  P  P218  1  0.767499  0.280157  0.377869  1
  P  P219  1  0.119361  0.311838  0.359284  1
  P  P220  1  0.463980  0.849494  0.341237  1
  P  P221  1  0.767499  0.780157  0.377869  1
  P  P222  1  0.119361  0.811838  0.359284  1
  P  P223  1  0.642989  0.922643  0.341562  1
  P  P224  1  0.946558  0.855536  0.378542  1
  P  P225  1  0.294268  0.889494  0.359682  1
  P  P226  1  0.642989  0.422643  0.341562  1
  P  P227  1  0.946558  0.355536  0.378542  1
  P  P228  1  0.294268  0.389494  0.359682  1
  P  P229  1  0.476464  0.095326  0.343734  1
  P  P230  1  0.777717  0.026880  0.378917  1
  P  P231  1  0.128607  0.060004  0.360990  1
  P  P232  1  0.476464  0.595326  0.343734  1
  P  P233  1  0.777717  0.526880  0.378917  1
  P  P234  1  0.128607  0.560004  0.360990  1
  P  P235  1  0.629008  0.175849  0.340141  1
  P  P236  1  0.934789  0.109641  0.376931  1
  P  P237  1  0.280998  0.144307  0.357210  1
  P  P238  1  0.629008  0.675849  0.340141  1
  P  P239  1  0.934789  0.609641  0.376931  1
  P  P240  1  0.280998  0.644307  0.357210  1
  P  P241  1  0.417084  0.247090  0.396413  1
  P  P242  1  0.721002  0.179975  0.433539  1
  P  P243  1  0.068659  0.212880  0.414999  1
  P  P244  1  0.417084  0.747090  0.396413  1
  P  P245  1  0.721002  0.679975  0.433539  1
  P  P246  1  0.068659  0.712880  0.414999  1
  P  P247  1  0.596486  0.823266  0.397463  1
  P  P248  1  0.898997  0.756021  0.434077  1
  P  P249  1  0.247820  0.788612  0.415408  1
  P  P250  1  0.596486  0.323266  0.397463  1
  P  P251  1  0.898997  0.256021  0.434077  1
  P  P252  1  0.247820  0.288612  0.415408  1
  P  P253  1  0.428078  0.995177  0.397938  1
  P  P254  1  0.732178  0.927345  0.434901  1
  P  P255  1  0.080686  0.960486  0.416358  1
  P  P256  1  0.428078  0.495177  0.397938  1
  P  P257  1  0.732178  0.427345  0.434901  1
  P  P258  1  0.080686  0.460486  0.416358  1
  P  P259  1  0.585801  0.075424  0.396309  1
  P  P260  1  0.888039  0.008031  0.432636  1
  P  P261  1  0.237578  0.040711  0.414397  1
  P  P262  1  0.585801  0.575424  0.396309  1
  P  P263  1  0.888039  0.508031  0.432636  1
  P  P264  1  0.237578  0.540711  0.414397  1
  P  P265  1  0.372134  0.146507  0.452259  1
  P  P266  1  0.675219  0.079729  0.489174  1
  P  P267  1  0.023764  0.113052  0.470713  1
  P  P268  1  0.372134  0.646507  0.452259  1
  P  P269  1  0.675219  0.579729  0.489174  1
  P  P270  1  0.023764  0.613052  0.470713  1
  P  P271  1  0.550460  0.722815  0.452938  1
  P  P272  1  0.853439  0.655734  0.489709  1
  P  P273  1  0.202105  0.689087  0.471490  1
  P  P274  1  0.550460  0.222815  0.452938  1
  P  P275  1  0.853439  0.155734  0.489709  1
  P  P276  1  0.202105  0.189087  0.471490  1
  P  P277  1  0.383172  0.894033  0.453559  1
  P  P278  1  0.686207  0.827271  0.490521  1
  P  P279  1  0.034715  0.860309  0.471983  1
  P  P280  1  0.383172  0.394033  0.453559  1
  P  P281  1  0.686207  0.327271  0.490521  1
  P  P282  1  0.034715  0.360309  0.471983  1
  P  P283  1  0.539191  0.975093  0.451496  1
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