# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.02530761
_cell_length_b   18.86644893
_cell_length_c   48.41155232
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.51915378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe96 P192'
_cell_volume   11734.2172568
_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  0.915935  0.442034  0.299694  1
  Fe  Fe2  1  0.415935  0.442034  0.299694  1
  Fe  Fe3  1  0.957365  0.774133  0.283043  1
  Fe  Fe4  1  0.887361  0.086363  0.318265  1
  Fe  Fe5  1  0.457365  0.774133  0.283043  1
  Fe  Fe6  1  0.387361  0.086363  0.318265  1
  Fe  Fe7  1  0.128566  0.584900  0.313891  1
  Fe  Fe8  1  0.628566  0.584900  0.313891  1
  Fe  Fe9  1  0.161306  0.932693  0.300454  1
  Fe  Fe10  1  0.193239  0.287460  0.283131  1
  Fe  Fe11  1  0.661306  0.932693  0.300454  1
  Fe  Fe12  1  0.693239  0.287460  0.283131  1
  Fe  Fe13  1  0.812914  0.394863  0.346060  1
  Fe  Fe14  1  0.312914  0.394863  0.346060  1
  Fe  Fe15  1  0.847759  0.735254  0.331271  1
  Fe  Fe16  1  0.781087  0.042927  0.364478  1
  Fe  Fe17  1  0.347759  0.735254  0.331271  1
  Fe  Fe18  1  0.281087  0.042927  0.364478  1
  Fe  Fe19  1  0.029015  0.546444  0.365851  1
  Fe  Fe20  1  0.529015  0.546444  0.365851  1
  Fe  Fe21  1  0.065520  0.897577  0.348386  1
  Fe  Fe22  1  0.095773  0.240003  0.330630  1
  Fe  Fe23  1  0.565520  0.897577  0.348386  1
  Fe  Fe24  1  0.595773  0.240003  0.330630  1
  Fe  Fe25  1  0.693701  0.341830  0.407323  1
  Fe  Fe26  1  0.193701  0.341830  0.407323  1
  Fe  Fe27  1  0.742237  0.696784  0.383394  1
  Fe  Fe28  1  0.654622  0.997477  0.426467  1
  Fe  Fe29  1  0.242237  0.696784  0.383394  1
  Fe  Fe30  1  0.154622  0.997477  0.426467  1
  Fe  Fe31  1  0.906806  0.492252  0.425543  1
  Fe  Fe32  1  0.406806  0.492252  0.425543  1
  Fe  Fe33  1  0.945048  0.842458  0.407481  1
  Fe  Fe34  1  0.993832  0.197634  0.382415  1
  Fe  Fe35  1  0.445048  0.842458  0.407481  1
  Fe  Fe36  1  0.493832  0.197634  0.382415  1
  Fe  Fe37  1  0.592791  0.301618  0.458101  1
  Fe  Fe38  1  0.092791  0.301618  0.458101  1
  Fe  Fe39  1  0.616902  0.644378  0.445868  1
  Fe  Fe40  1  0.555661  0.952530  0.476785  1
  Fe  Fe41  1  0.116902  0.644378  0.445868  1
  Fe  Fe42  1  0.055661  0.952530  0.476785  1
  Fe  Fe43  1  0.803921  0.452800  0.476446  1
  Fe  Fe44  1  0.303921  0.452800  0.476446  1
  Fe  Fe45  1  0.841529  0.801568  0.457930  1
  Fe  Fe46  1  0.868311  0.146250  0.445438  1
  Fe  Fe47  1  0.341529  0.801568  0.457930  1
  Fe  Fe48  1  0.368311  0.146250  0.445438  1
  Fe  Fe49  1  0.468963  0.253373  0.519202  1
  Fe  Fe50  1  0.968963  0.253373  0.519202  1
  Fe  Fe51  1  0.512098  0.602678  0.497892  1
  Fe  Fe52  1  0.431963  0.904196  0.537650  1
  Fe  Fe53  1  0.012098  0.602678  0.497892  1
  Fe  Fe54  1  0.931963  0.904196  0.537650  1
  Fe  Fe55  1  0.682741  0.403886  0.538063  1
  Fe  Fe56  1  0.182741  0.403886  0.538063  1
  Fe  Fe57  1  0.720322  0.752856  0.519362  1
  Fe  Fe58  1  0.762497  0.103083  0.497961  1
  Fe  Fe59  1  0.220322  0.752856  0.519362  1
  Fe  Fe60  1  0.262497  0.103083  0.497961  1
  Fe  Fe61  1  0.370504  0.208512  0.569727  1
  Fe  Fe62  1  0.870504  0.208512  0.569727  1
  Fe  Fe63  1  0.407052  0.561002  0.549844  1
  Fe  Fe64  1  0.330985  0.863824  0.588663  1
  Fe  Fe65  1  0.907052  0.561002  0.549844  1
  Fe  Fe66  1  0.830985  0.863824  0.588663  1
  Fe  Fe67  1  0.580284  0.361872  0.588317  1
  Fe  Fe68  1  0.080284  0.361872  0.588317  1
  Fe  Fe69  1  0.617464  0.713245  0.570300  1
  Fe  Fe70  1  0.656850  0.059900  0.550388  1
  Fe  Fe71  1  0.117464  0.713245  0.570300  1
  Fe  Fe72  1  0.156850  0.059900  0.550388  1
  Fe  Fe73  1  0.245952  0.162554  0.631245  1
  Fe  Fe74  1  0.745952  0.162554  0.631245  1
  Fe  Fe75  1  0.281562  0.508302  0.612044  1
  Fe  Fe76  1  0.209324  0.811157  0.650222  1
  Fe  Fe77  1  0.781562  0.508302  0.612044  1
  Fe  Fe78  1  0.709324  0.811157  0.650222  1
  Fe  Fe79  1  0.461521  0.311608  0.648944  1
  Fe  Fe80  1  0.961521  0.311608  0.648944  1
  Fe  Fe81  1  0.494321  0.658467  0.630058  1
  Fe  Fe82  1  0.532116  0.008304  0.612608  1
  Fe  Fe83  1  0.994321  0.658467  0.630058  1
  Fe  Fe84  1  0.032116  0.008304  0.612608  1
  Fe  Fe85  1  0.143806  0.112995  0.677580  1
  Fe  Fe86  1  0.643806  0.112995  0.677580  1
  Fe  Fe87  1  0.178554  0.470310  0.663373  1
  Fe  Fe88  1  0.103189  0.767494  0.696027  1
  Fe  Fe89  1  0.678554  0.470310  0.663373  1
  Fe  Fe90  1  0.603189  0.767494  0.696027  1
  Fe  Fe91  1  0.364051  0.271323  0.695722  1
  Fe  Fe92  1  0.864051  0.271323  0.695722  1
  Fe  Fe93  1  0.392804  0.619980  0.682002  1
  Fe  Fe94  1  0.430545  0.968044  0.663211  1
  Fe  Fe95  1  0.892804  0.619980  0.682002  1
  Fe  Fe96  1  0.930545  0.968044  0.663211  1
  P  P97  1  0.301954  0.553746  0.290750  1
  P  P98  1  0.801954  0.553746  0.290750  1
  P  P99  1  0.239715  0.853871  0.330676  1
  P  P100  1  0.271935  0.199102  0.309575  1
  P  P101  1  0.739715  0.853871  0.330676  1
  P  P102  1  0.771935  0.199102  0.309575  1
  P  P103  1  0.073437  0.670750  0.275225  1
  P  P104  1  0.573437  0.670750  0.275225  1
  P  P105  1  0.992180  0.970408  0.308855  1
  P  P106  1  0.026261  0.323303  0.291958  1
  P  P107  1  0.492180  0.970408  0.308855  1
  P  P108  1  0.526261  0.323303  0.291958  1
  P  P109  1  0.305994  0.733121  0.281316  1
  P  P110  1  0.805994  0.733121  0.281316  1
  P  P111  1  0.237301  0.028772  0.316484  1
  P  P112  1  0.270673  0.379869  0.298242  1
  P  P113  1  0.737301  0.028772  0.316484  1
  P  P114  1  0.770673  0.379869  0.298242  1
  P  P115  1  0.063634  0.495967  0.285245  1
  P  P116  1  0.563634  0.495967  0.285245  1
  P  P117  1  1.000489  0.797334  0.325495  1
  P  P118  1  0.030786  0.145475  0.303638  1
  P  P119  1  0.500489  0.797334  0.325495  1
  P  P120  1  0.530786  0.145475  0.303638  1
  P  P121  1  0.198463  0.505951  0.348789  1
  P  P122  1  0.698463  0.505951  0.348789  1
  P  P123  1  0.120552  0.809381  0.385756  1
  P  P124  1  0.163302  0.156822  0.366499  1
  P  P125  1  0.620552  0.809381  0.385756  1
  P  P126  1  0.663302  0.156822  0.366499  1
  P  P127  1  0.959839  0.623390  0.331237  1
  P  P128  1  0.459839  0.623390  0.331237  1
  P  P129  1  0.894342  0.928364  0.368761  1
  P  P130  1  0.922716  0.277634  0.348488  1
  P  P131  1  0.394342  0.928364  0.368761  1
  P  P132  1  0.422716  0.277634  0.348488  1
  P  P133  1  0.199378  0.680198  0.336959  1
  P  P134  1  0.699378  0.680198  0.336959  1
  P  P135  1  0.131689  0.985438  0.375382  1
  P  P136  1  0.167204  0.332155  0.356757  1
  P  P137  1  0.631689  0.985438  0.375382  1
  P  P138  1  0.667204  0.332155  0.356757  1
  P  P139  1  0.964723  0.448071  0.343523  1
  P  P140  1  0.464723  0.448071  0.343523  1
  P  P141  1  0.887051  0.752575  0.379602  1
  P  P142  1  0.929184  0.100660  0.361854  1
  P  P143  1  0.387051  0.752575  0.379602  1
  P  P144  1  0.429184  0.100660  0.361854  1
  P  P145  1  0.080637  0.459651  0.404197  1
  P  P146  1  0.580637  0.459651  0.404197  1
  P  P147  1  0.011911  0.760959  0.442093  1
  P  P148  1  0.042791  0.113202  0.422860  1
  P  P149  1  0.511911  0.760959  0.442093  1
  P  P150  1  0.542791  0.113202  0.422860  1
  P  P151  1  0.855196  0.579065  0.387388  1
  P  P152  1  0.355196  0.579065  0.387388  1
  P  P153  1  0.774876  0.884623  0.423644  1
  P  P154  1  0.818283  0.230014  0.405797  1
  P  P155  1  0.274876  0.884623  0.423644  1
  P  P156  1  0.318283  0.230014  0.405797  1
  P  P157  1  0.092426  0.635723  0.393998  1
  P  P158  1  0.592426  0.635723  0.393998  1
  P  P159  1  0.011213  0.938656  0.430017  1
  P  P160  1  0.048051  0.286353  0.411181  1
  P  P161  1  0.511213  0.938656  0.430017  1
  P  P162  1  0.548051  0.286353  0.411181  1
  P  P163  1  0.842289  0.403797  0.397247  1
  P  P164  1  0.342289  0.403797  0.397247  1
  P  P165  1  0.768778  0.706721  0.434506  1
  P  P166  1  0.805581  0.056879  0.416002  1
  P  P167  1  0.268778  0.706721  0.434506  1
  P  P168  1  0.305581  0.056879  0.416002  1
  P  P169  1  0.975108  0.412876  0.460685  1
  P  P170  1  0.475108  0.412876  0.460685  1
  P  P171  1  0.892838  0.717661  0.496833  1
  P  P172  1  0.935129  0.064458  0.479277  1
  P  P173  1  0.392838  0.717661  0.496833  1
  P  P174  1  0.435129  0.064458  0.479277  1
  P  P175  1  0.735361  0.534667  0.442290  1
  P  P176  1  0.235361  0.534667  0.442290  1
  P  P177  1  0.668955  0.836702  0.479955  1
  P  P178  1  0.699917  0.186172  0.461370  1
  P  P179  1  0.168955  0.836702  0.479955  1
  P  P180  1  0.199917  0.186172  0.461370  1
  P  P181  1  0.973206  0.588895  0.449144  1
  P  P182  1  0.473206  0.588895  0.449144  1
  P  P183  1  0.905469  0.892103  0.486633  1
  P  P184  1  0.941168  0.241504  0.468482  1
  P  P185  1  0.405469  0.892103  0.486633  1
  P  P186  1  0.441168  0.241504  0.468482  1
  P  P187  1  0.737433  0.358079  0.454082  1
  P  P188  1  0.237433  0.358079  0.454082  1
  P  P189  1  0.660250  0.662188  0.491582  1
  P  P190  1  0.700443  0.010017  0.472625  1
  P  P191  1  0.160250  0.662188  0.491582  1
  P  P192  1  0.200443  0.010017  0.472625  1
  P  P193  1  0.855383  0.369051  0.515927  1
  P  P194  1  0.355383  0.369051  0.515927  1
  P  P195  1  0.788540  0.670699  0.553531  1
  P  P196  1  0.825109  0.019771  0.534507  1
  P  P197  1  0.288540  0.670699  0.553531  1
  P  P198  1  0.325109  0.019771  0.534507  1
  P  P199  1  0.631386  0.487807  0.499099  1
  P  P200  1  0.131386  0.487807  0.499099  1
  P  P201  1  0.549417  0.792744  0.535139  1
  P  P202  1  0.589668  0.141533  0.516561  1
  P  P203  1  0.049417  0.792744  0.535139  1
  P  P204  1  0.089668  0.141533  0.516561  1
  P  P205  1  0.863891  0.543263  0.504278  1
  P  P206  1  0.363891  0.543263  0.504278  1
  P  P207  1  0.787159  0.847471  0.541775  1
  P  P208  1  0.824398  0.196132  0.523314  1
  P  P209  1  0.287159  0.847471  0.541775  1
  P  P210  1  0.324398  0.196132  0.523314  1
  P  P211  1  0.619094  0.313638  0.509275  1
  P  P212  1  0.119094  0.313638  0.509275  1
  P  P213  1  0.550921  0.616660  0.546623  1
  P  P214  1  0.583756  0.964436  0.527410  1
  P  P215  1  0.050921  0.616660  0.546623  1
  P  P216  1  0.083756  0.964436  0.527410  1
  P  P217  1  0.750770  0.321493  0.572603  1
  P  P218  1  0.250770  0.321493  0.572603  1
  P  P219  1  0.668560  0.625968  0.608428  1
  P  P220  1  0.706837  0.975644  0.589889  1
  P  P221  1  0.168560  0.625968  0.608428  1
  P  P222  1  0.206837  0.975644  0.589889  1
  P  P223  1  0.512039  0.444433  0.553988  1
  P  P224  1  0.012039  0.444433  0.553988  1
  P  P225  1  0.443565  0.745905  0.591607  1
  P  P226  1  0.482412  0.092965  0.572880  1
  P  P227  1  0.943565  0.745905  0.591607  1
  P  P228  1  0.982412  0.092965  0.572880  1
  P  P229  1  0.755213  0.498419  0.561580  1
  P  P230  1  0.255213  0.498419  0.561580  1
  P  P231  1  0.682504  0.801624  0.598592  1
  P  P232  1  0.719390  0.149531  0.579805  1
  P  P233  1  0.182504  0.801624  0.598592  1
  P  P234  1  0.219390  0.149531  0.579805  1
  P  P235  1  0.513810  0.267146  0.566005  1
  P  P236  1  0.013810  0.267146  0.566005  1
  P  P237  1  0.431423  0.570265  0.601627  1
  P  P238  1  0.476568  0.918805  0.584441  1
  P  P239  1  0.931423  0.570265  0.601627  1
  P  P240  1  0.976568  0.918805  0.584441  1
  P  P241  1  0.631100  0.277168  0.627725  1
  P  P242  1  0.131100  0.277168  0.627725  1
  P  P243  1  0.563236  0.580608  0.664827  1
  P  P244  1  0.601397  0.927700  0.646684  1
  P  P245  1  0.063236  0.580608  0.664827  1
  P  P246  1  0.101397  0.927700  0.646684  1
  P  P247  1  0.406009  0.396200  0.611063  1
  P  P248  1  0.906009  0.396200  0.611063  1
  P  P249  1  0.324754  0.700047  0.647208  1
  P  P250  1  0.362704  0.049306  0.628481  1
  P  P251  1  0.824754  0.700047  0.647208  1
  P  P252  1  0.862704  0.049306  0.628481  1
  P  P253  1  0.635598  0.451924  0.616752  1
  P  P254  1  0.135598  0.451924  0.616752  1
  P  P255  1  0.560111  0.755811  0.651957  1
  P  P256  1  0.597510  0.104804  0.633878  1
  P  P257  1  0.060111  0.755811  0.651957  1
  P  P258  1  0.097510  0.104804  0.633878  1
  P  P259  1  0.394492  0.221208  0.620795  1
  P  P260  1  0.894492  0.221208  0.620795  1
  P  P261  1  0.326362  0.524313  0.658216  1
  P  P262  1  0.356690  0.873291  0.639536  1
  P  P263  1  0.826362  0.524313  0.658216  1
  P  P264  1  0.856690  0.873291  0.639536  1
  P  P265  1  0.531560  0.229262  0.686219  1
  P  P266  1  0.031560  0.229262  0.686219  1
  P  P267  1  0.442384  0.537071  0.719477  1
  P  P268  1  0.482564  0.882220  0.701726  1
  P  P269  1  0.942384  0.537071  0.719477  1
  P  P270  1  0.982564  0.882220  0.701726  1
  P  P271  1  0.285978  0.351633  0.665856  1
  P  P272  1  0.785978  0.351633  0.665856  1
  P  P273  1  0.219301  0.654048  0.704625  1
  P  P274  1  0.258843  1.002597  0.686197  1
  P  P275  1  0.719301  0.654048  0.704625  1
  P  P276  1  0.758843  1.002597  0.686197  1
  P  P277  1  0.529286  0.406634  0.674346  1
  P  P278  1  0.029286  0.406634  0.674346  1
  P  P279  1  0.457757  0.709144  0.710050  1
  P  P280  1  0.496350  0.057343  0.691945  1
  P  P281  1  0.957757  0.709144  0.710050  1
  P  P282  1  0.996350  0.057343  0.691945  1
  P  P283  1  0.288331  0.175363  0.679259  1
  P  P284  1  0.788331  0.175363  0.679259  1
  P  P285  1  0.208617  0.475782  0.712367  1
  P  P286  1  0.244731  0.828043  0.697828  1
  P  P287  1  0.708617  0.475782  0.712367  1
  P  P288  1  0.744731  0.828043  0.697828  1
