# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67967882
_cell_length_b   12.68368054
_cell_length_c   49.79486635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.81348041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe192 P96'
_cell_volume   7305.2664296
_cell_formula_units_Z   96
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  0.374469  0.939887  0.319827  1
  Fe  Fe2  1  0.820292  0.020018  0.295327  1
  Fe  Fe3  1  0.874469  0.439887  0.319827  1
  Fe  Fe4  1  0.320292  0.520018  0.295327  1
  Fe  Fe5  1  0.008496  0.201615  0.296004  1
  Fe  Fe6  1  0.580766  0.141400  0.318844  1
  Fe  Fe7  1  0.508496  0.701615  0.296004  1
  Fe  Fe8  1  0.080766  0.641400  0.318844  1
  Fe  Fe9  1  0.196146  0.300566  0.288949  1
  Fe  Fe10  1  0.763492  0.257464  0.314604  1
  Fe  Fe11  1  0.696146  0.800566  0.288949  1
  Fe  Fe12  1  0.263492  0.757464  0.314604  1
  Fe  Fe13  1  0.391279  0.128839  0.296083  1
  Fe  Fe14  1  0.948599  0.072397  0.324133  1
  Fe  Fe15  1  0.891279  0.628839  0.296083  1
  Fe  Fe16  1  0.448599  0.572397  0.324133  1
  Fe  Fe17  1  0.538995  0.351725  0.302416  1
  Fe  Fe18  1  0.085862  0.299716  0.329970  1
  Fe  Fe19  1  0.038995  0.851725  0.302416  1
  Fe  Fe20  1  0.585862  0.799716  0.329970  1
  Fe  Fe21  1  0.169231  0.973107  0.302208  1
  Fe  Fe22  1  0.717735  0.928619  0.328998  1
  Fe  Fe23  1  0.669231  0.473107  0.302208  1
  Fe  Fe24  1  0.217735  0.428619  0.328998  1
  Fe  Fe25  1  0.467950  0.861006  0.376377  1
  Fe  Fe26  1  0.916373  0.906340  0.347746  1
  Fe  Fe27  1  0.967950  0.361006  0.376377  1
  Fe  Fe28  1  0.416373  0.406340  0.347746  1
  Fe  Fe29  1  0.134304  0.090404  0.345972  1
  Fe  Fe30  1  0.676866  0.042455  0.373962  1
  Fe  Fe31  1  0.634304  0.590404  0.345972  1
  Fe  Fe32  1  0.176866  0.542455  0.373962  1
  Fe  Fe33  1  0.299907  0.208042  0.340846  1
  Fe  Fe34  1  0.850532  0.153536  0.371001  1
  Fe  Fe35  1  0.799907  0.708042  0.340846  1
  Fe  Fe36  1  0.350532  0.653536  0.371001  1
  Fe  Fe37  1  0.492962  0.027314  0.347558  1
  Fe  Fe38  1  0.045073  0.975348  0.379677  1
  Fe  Fe39  1  0.992962  0.527314  0.347558  1
  Fe  Fe40  1  0.545073  0.475348  0.379677  1
  Fe  Fe41  1  0.632490  0.249371  0.356741  1
  Fe  Fe42  1  0.184864  0.200482  0.384410  1
  Fe  Fe43  1  0.132490  0.749371  0.356741  1
  Fe  Fe44  1  0.684864  0.700482  0.384410  1
  Fe  Fe45  1  0.270478  0.880180  0.356741  1
  Fe  Fe46  1  0.818511  0.829897  0.383796  1
  Fe  Fe47  1  0.770478  0.380180  0.356741  1
  Fe  Fe48  1  0.318511  0.329897  0.383796  1
  Fe  Fe49  1  0.566840  0.760089  0.431550  1
  Fe  Fe50  1  0.017030  0.807762  0.403789  1
  Fe  Fe51  1  0.066840  0.260089  0.431550  1
  Fe  Fe52  1  0.517030  0.307762  0.403789  1
  Fe  Fe53  1  0.229878  0.992175  0.401864  1
  Fe  Fe54  1  0.777350  0.943396  0.429656  1
  Fe  Fe55  1  0.729878  0.492175  0.401864  1
  Fe  Fe56  1  0.277350  0.443396  0.429656  1
  Fe  Fe57  1  0.400459  0.106435  0.397644  1
  Fe  Fe58  1  0.950398  0.055593  0.425711  1
  Fe  Fe59  1  0.900459  0.606435  0.397644  1
  Fe  Fe60  1  0.450398  0.555593  0.425711  1
  Fe  Fe61  1  0.594477  0.925965  0.407070  1
  Fe  Fe62  1  0.143598  0.876980  0.434483  1
  Fe  Fe63  1  0.094477  0.425965  0.407070  1
  Fe  Fe64  1  0.643598  0.376980  0.434483  1
  Fe  Fe65  1  0.732797  0.150510  0.412666  1
  Fe  Fe66  1  0.283309  0.101284  0.440160  1
  Fe  Fe67  1  0.232797  0.650510  0.412666  1
  Fe  Fe68  1  0.783309  0.601284  0.440160  1
  Fe  Fe69  1  0.369178  0.780171  0.412339  1
  Fe  Fe70  1  0.918809  0.730000  0.439704  1
  Fe  Fe71  1  0.869178  0.280171  0.412339  1
  Fe  Fe72  1  0.418809  0.230000  0.439704  1
  Fe  Fe73  1  0.665618  0.661132  0.487018  1
  Fe  Fe74  1  0.115974  0.709019  0.459192  1
  Fe  Fe75  1  0.165618  0.161132  0.487018  1
  Fe  Fe76  1  0.615974  0.209019  0.459192  1
  Fe  Fe77  1  0.327887  0.893641  0.457349  1
  Fe  Fe78  1  0.876622  0.844148  0.485162  1
  Fe  Fe79  1  0.827887  0.393641  0.457349  1
  Fe  Fe80  1  0.376622  0.344148  0.485162  1
  Fe  Fe81  1  0.500453  0.006621  0.453232  1
  Fe  Fe82  1  0.049395  0.956809  0.481017  1
  Fe  Fe83  1  0.000453  0.506621  0.453232  1
  Fe  Fe84  1  0.549395  0.456809  0.481017  1
  Fe  Fe85  1  0.692940  0.827637  0.461990  1
  Fe  Fe86  1  0.242414  0.778172  0.489916  1
  Fe  Fe87  1  0.192940  0.327637  0.461990  1
  Fe  Fe88  1  0.742414  0.278172  0.489916  1
  Fe  Fe89  1  0.832168  0.051652  0.467998  1
  Fe  Fe90  1  0.382030  0.002497  0.495738  1
  Fe  Fe91  1  0.332168  0.551652  0.467998  1
  Fe  Fe92  1  0.882030  0.502497  0.495738  1
  Fe  Fe93  1  0.468188  0.680904  0.467563  1
  Fe  Fe94  1  0.017574  0.631158  0.495222  1
  Fe  Fe95  1  0.968188  0.180904  0.467563  1
  Fe  Fe96  1  0.517574  0.131158  0.495222  1
  Fe  Fe97  1  0.764597  0.562060  0.542555  1
  Fe  Fe98  1  0.215009  0.610929  0.514824  1
  Fe  Fe99  1  0.264597  0.062060  0.542555  1
  Fe  Fe100  1  0.715009  0.110929  0.514824  1
  Fe  Fe101  1  0.426301  0.794823  0.512918  1
  Fe  Fe102  1  0.975530  0.745267  0.540703  1
  Fe  Fe103  1  0.926301  0.294823  0.512918  1
  Fe  Fe104  1  0.475530  0.245267  0.540703  1
  Fe  Fe105  1  0.598941  0.907576  0.508834  1
  Fe  Fe106  1  0.148699  0.857776  0.536426  1
  Fe  Fe107  1  0.098941  0.407576  0.508834  1
  Fe  Fe108  1  0.648699  0.357776  0.536426  1
  Fe  Fe109  1  0.791888  0.728726  0.517630  1
  Fe  Fe110  1  0.341401  0.679112  0.545374  1
  Fe  Fe111  1  0.291888  0.228726  0.517630  1
  Fe  Fe112  1  0.841401  0.179112  0.545374  1
  Fe  Fe113  1  0.931114  0.952675  0.523480  1
  Fe  Fe114  1  0.481152  0.903673  0.551286  1
  Fe  Fe115  1  0.431114  0.452675  0.523480  1
  Fe  Fe116  1  0.981152  0.403673  0.551286  1
  Fe  Fe117  1  0.567232  0.581954  0.522987  1
  Fe  Fe118  1  0.116400  0.532122  0.550858  1
  Fe  Fe119  1  0.067232  0.081954  0.522987  1
  Fe  Fe120  1  0.616400  0.032122  0.550858  1
  Fe  Fe121  1  0.863902  0.462955  0.597910  1
  Fe  Fe122  1  0.313778  0.512026  0.570268  1
  Fe  Fe123  1  0.363902  0.962955  0.597910  1
  Fe  Fe124  1  0.813778  0.012026  0.570268  1
  Fe  Fe125  1  0.525132  0.696114  0.568371  1
  Fe  Fe126  1  0.074151  0.646454  0.596279  1
  Fe  Fe127  1  0.025132  0.196114  0.568371  1
  Fe  Fe128  1  0.574151  0.146454  0.596279  1
  Fe  Fe129  1  0.697562  0.808967  0.564328  1
  Fe  Fe130  1  0.248125  0.758708  0.591950  1
  Fe  Fe131  1  0.197562  0.308967  0.564328  1
  Fe  Fe132  1  0.748125  0.258708  0.591950  1
  Fe  Fe133  1  0.890782  0.629864  0.573218  1
  Fe  Fe134  1  0.439920  0.580359  0.600402  1
  Fe  Fe135  1  0.390782  0.129864  0.573218  1
  Fe  Fe136  1  0.939920  0.080359  0.600402  1
  Fe  Fe137  1  0.029896  0.853746  0.578953  1
  Fe  Fe138  1  0.580348  0.805070  0.606580  1
  Fe  Fe139  1  0.529896  0.353746  0.578953  1
  Fe  Fe140  1  0.080348  0.305070  0.606580  1
  Fe  Fe141  1  0.666318  0.483033  0.578407  1
  Fe  Fe142  1  0.214993  0.433548  0.606258  1
  Fe  Fe143  1  0.166318  0.983033  0.578407  1
  Fe  Fe144  1  0.714993  0.933548  0.606258  1
  Fe  Fe145  1  0.960725  0.366984  0.654828  1
  Fe  Fe146  1  0.412375  0.413241  0.625375  1
  Fe  Fe147  1  0.460725  0.866984  0.654828  1
  Fe  Fe148  1  0.912375  0.913241  0.625375  1
  Fe  Fe149  1  0.626367  0.595749  0.622809  1
  Fe  Fe150  1  0.171712  0.548059  0.652514  1
  Fe  Fe151  1  0.126367  0.095749  0.622809  1
  Fe  Fe152  1  0.671712  0.048059  0.652514  1
  Fe  Fe153  1  0.796921  0.709663  0.619757  1
  Fe  Fe154  1  0.344215  0.661112  0.646609  1
  Fe  Fe155  1  0.296921  0.209663  0.619757  1
  Fe  Fe156  1  0.844215  0.161112  0.646609  1
  Fe  Fe157  1  0.990071  0.530392  0.629419  1
  Fe  Fe158  1  0.538820  0.481007  0.655473  1
  Fe  Fe159  1  0.490071  0.030392  0.629419  1
  Fe  Fe160  1  0.038820  0.981007  0.655473  1
  Fe  Fe161  1  0.129152  0.754670  0.634589  1
  Fe  Fe162  1  0.683087  0.707709  0.663336  1
  Fe  Fe163  1  0.629152  0.254670  0.634589  1
  Fe  Fe164  1  0.183087  0.207709  0.663336  1
  Fe  Fe165  1  0.765829  0.383837  0.633962  1
  Fe  Fe166  1  0.312258  0.330496  0.663454  1
  Fe  Fe167  1  0.265829  0.883837  0.633962  1
  Fe  Fe168  1  0.812258  0.830496  0.663454  1
  Fe  Fe169  1  0.066064  0.227219  0.704811  1
  Fe  Fe170  1  0.507154  0.317186  0.681434  1
  Fe  Fe171  1  0.566064  0.727219  0.704811  1
  Fe  Fe172  1  0.007154  0.817186  0.681434  1
  Fe  Fe173  1  0.720229  0.506388  0.679173  1
  Fe  Fe174  1  0.283800  0.453370  0.705520  1
  Fe  Fe175  1  0.220229  0.006388  0.679173  1
  Fe  Fe176  1  0.783800  0.953370  0.705520  1
  Fe  Fe177  1  0.891845  0.614866  0.675862  1
  Fe  Fe178  1  0.445257  0.568259  0.700895  1
  Fe  Fe179  1  0.391845  0.114866  0.675862  1
  Fe  Fe180  1  0.945257  0.068259  0.700895  1
  Fe  Fe181  1  0.084238  0.434781  0.683007  1
  Fe  Fe182  1  0.631065  0.391423  0.710542  1
  Fe  Fe183  1  0.584238  0.934781  0.683007  1
  Fe  Fe184  1  0.131065  0.891423  0.710542  1
  Fe  Fe185  1  0.228487  0.662552  0.690534  1
  Fe  Fe186  1  0.775575  0.606577  0.716187  1
  Fe  Fe187  1  0.728487  0.162552  0.690534  1
  Fe  Fe188  1  0.275575  0.106577  0.716187  1
  Fe  Fe189  1  0.858613  0.285672  0.689826  1
  Fe  Fe190  1  0.410480  0.240089  0.715634  1
  Fe  Fe191  1  0.358613  0.785672  0.689826  1
  Fe  Fe192  1  0.910480  0.740089  0.715634  1
  P  P193  1  0.213523  0.128184  0.304381  1
  P  P194  1  0.663624  0.189037  0.278745  1
  P  P195  1  0.713523  0.628184  0.304381  1
  P  P196  1  0.163624  0.689037  0.278745  1
  P  P197  1  0.378521  0.310822  0.305464  1
  P  P198  1  0.833855  0.349654  0.278862  1
  P  P199  1  0.878521  0.810822  0.305464  1
  P  P200  1  0.333855  0.849654  0.278862  1
  P  P201  1  0.548955  0.970770  0.301736  1
  P  P202  1  0.996599  0.026449  0.276697  1
  P  P203  1  0.048955  0.470770  0.301736  1
  P  P204  1  0.496599  0.526449  0.276697  1
  P  P205  1  0.316875  0.036738  0.363223  1
  P  P206  1  0.765589  0.088133  0.336915  1
  P  P207  1  0.816875  0.536738  0.363223  1
  P  P208  1  0.265589  0.588133  0.336915  1
  P  P209  1  0.480148  0.202305  0.363496  1
  P  P210  1  0.934190  0.248803  0.338259  1
  P  P211  1  0.980148  0.702305  0.363496  1
  P  P212  1  0.434190  0.748803  0.338259  1
  P  P213  1  0.644938  0.873244  0.364114  1
  P  P214  1  0.099209  0.918197  0.337463  1
  P  P215  1  0.144938  0.373244  0.364114  1
  P  P216  1  0.599209  0.418197  0.337463  1
  P  P217  1  0.415326  0.936616  0.419323  1
  P  P218  1  0.865797  0.984329  0.391905  1
  P  P219  1  0.915326  0.436616  0.419323  1
  P  P220  1  0.365797  0.484329  0.391905  1
  P  P221  1  0.581400  0.102384  0.419112  1
  P  P222  1  0.034000  0.151575  0.392277  1
  P  P223  1  0.081400  0.602384  0.419112  1
  P  P224  1  0.534000  0.651575  0.392277  1
  P  P225  1  0.749031  0.769145  0.419425  1
  P  P226  1  0.199418  0.818036  0.392010  1
  P  P227  1  0.249031  0.269145  0.419425  1
  P  P228  1  0.699418  0.318036  0.392010  1
  P  P229  1  0.514038  0.837135  0.475147  1
  P  P230  1  0.964606  0.885948  0.447432  1
  P  P231  1  0.014038  0.337135  0.475147  1
  P  P232  1  0.464606  0.385948  0.447432  1
  P  P233  1  0.680948  0.003582  0.475132  1
  P  P234  1  0.132043  0.053207  0.447510  1
  P  P235  1  0.180948  0.503582  0.475132  1
  P  P236  1  0.632043  0.553207  0.447510  1
  P  P237  1  0.847161  0.670741  0.475149  1
  P  P238  1  0.297697  0.720032  0.447555  1
  P  P239  1  0.347161  0.170741  0.475149  1
  P  P240  1  0.797697  0.220032  0.447555  1
  P  P241  1  0.613179  0.737922  0.530655  1
  P  P242  1  0.063680  0.787179  0.502878  1
  P  P243  1  0.113179  0.237922  0.530655  1
  P  P244  1  0.563680  0.287179  0.502878  1
  P  P245  1  0.779950  0.904552  0.530688  1
  P  P246  1  0.230721  0.954300  0.502864  1
  P  P247  1  0.279950  0.404552  0.530688  1
  P  P248  1  0.730721  0.454300  0.502864  1
  P  P249  1  0.946230  0.571837  0.530708  1
  P  P250  1  0.396825  0.621010  0.502921  1
  P  P251  1  0.446230  0.071837  0.530708  1
  P  P252  1  0.896825  0.121010  0.502921  1
  P  P253  1  0.712688  0.639166  0.586277  1
  P  P254  1  0.162375  0.688500  0.558408  1
  P  P255  1  0.212688  0.139166  0.586277  1
  P  P256  1  0.662375  0.188500  0.558408  1
  P  P257  1  0.878814  0.805438  0.586372  1
  P  P258  1  0.329488  0.855444  0.558295  1
  P  P259  1  0.378814  0.305438  0.586372  1
  P  P260  1  0.829488  0.355444  0.558295  1
  P  P261  1  0.044532  0.473569  0.586487  1
  P  P262  1  0.496114  0.521724  0.558234  1
  P  P263  1  0.544532  0.973569  0.586487  1
  P  P264  1  0.996114  0.021724  0.558234  1
  P  P265  1  0.812151  0.538416  0.642090  1
  P  P266  1  0.260337  0.589054  0.614028  1
  P  P267  1  0.312151  0.038416  0.642090  1
  P  P268  1  0.760337  0.089054  0.614028  1
  P  P269  1  0.978418  0.707112  0.641994  1
  P  P270  1  0.429130  0.757505  0.613799  1
  P  P271  1  0.478418  0.207112  0.641994  1
  P  P272  1  0.929130  0.257505  0.613799  1
  P  P273  1  0.145746  0.372290  0.641960  1
  P  P274  1  0.595178  0.422701  0.613635  1
  P  P275  1  0.645746  0.872290  0.641960  1
  P  P276  1  0.095178  0.922701  0.613635  1
  P  P277  1  0.917388  0.432709  0.702323  1
  P  P278  1  0.362420  0.489694  0.668903  1
  P  P279  1  0.417388  0.932709  0.702323  1
  P  P280  1  0.862420  0.989694  0.668903  1
  P  P281  1  0.081174  0.604188  0.699770  1
  P  P282  1  0.528691  0.654992  0.667390  1
  P  P283  1  0.581174  0.104188  0.699770  1
  P  P284  1  0.028691  0.154992  0.667390  1
  P  P285  1  0.225945  0.291061  0.704750  1
  P  P286  1  0.692989  0.325916  0.669421  1
  P  P287  1  0.725945  0.791061  0.704750  1
  P  P288  1  0.192989  0.825916  0.669421  1
