# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99888584
_cell_length_b   12.16710217
_cell_length_c   47.20274959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.16945399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe112 P112'
_cell_volume   6875.81324115
_cell_formula_units_Z   112
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  0.159451  0.312170  0.337219  1
  Fe  Fe2  1  0.659451  0.812170  0.337219  1
  Fe  Fe3  1  0.700457  0.347477  0.306386  1
  Fe  Fe4  1  0.200457  0.847477  0.306386  1
  Fe  Fe5  1  0.711977  0.578622  0.290656  1
  Fe  Fe6  1  0.211977  0.078622  0.290656  1
  Fe  Fe7  1  0.177436  0.541235  0.319950  1
  Fe  Fe8  1  0.677436  0.041235  0.319950  1
  Fe  Fe9  1  0.403370  0.562274  0.334955  1
  Fe  Fe10  1  0.903370  0.062274  0.334955  1
  Fe  Fe11  1  0.936682  0.594685  0.306086  1
  Fe  Fe12  1  0.436682  0.094685  0.306086  1
  Fe  Fe13  1  0.467539  0.315899  0.289520  1
  Fe  Fe14  1  0.967539  0.815899  0.289520  1
  Fe  Fe15  1  0.929242  0.290851  0.319274  1
  Fe  Fe16  1  0.429242  0.790851  0.319274  1
  Fe  Fe17  1  0.100420  0.253074  0.397645  1
  Fe  Fe18  1  0.600420  0.753074  0.397645  1
  Fe  Fe19  1  0.631705  0.284971  0.365923  1
  Fe  Fe20  1  0.131705  0.784971  0.365923  1
  Fe  Fe21  1  0.641193  0.509637  0.346455  1
  Fe  Fe22  1  0.141193  0.009637  0.346455  1
  Fe  Fe23  1  0.110537  0.479147  0.378828  1
  Fe  Fe24  1  0.610537  0.979147  0.378828  1
  Fe  Fe25  1  0.342184  0.502976  0.397676  1
  Fe  Fe26  1  0.842184  0.002976  0.397676  1
  Fe  Fe27  1  0.875008  0.535803  0.365957  1
  Fe  Fe28  1  0.375008  0.035803  0.365957  1
  Fe  Fe29  1  0.401606  0.264360  0.347450  1
  Fe  Fe30  1  0.901606  0.764360  0.347450  1
  Fe  Fe31  1  0.869327  0.229654  0.379715  1
  Fe  Fe32  1  0.369327  0.729654  0.379715  1
  Fe  Fe33  1  0.037115  0.191480  0.460066  1
  Fe  Fe34  1  0.537115  0.691480  0.460066  1
  Fe  Fe35  1  0.569031  0.222655  0.428767  1
  Fe  Fe36  1  0.069031  0.722655  0.428767  1
  Fe  Fe37  1  0.578369  0.449116  0.409992  1
  Fe  Fe38  1  0.078369  0.949116  0.409992  1
  Fe  Fe39  1  0.046981  0.418308  0.441435  1
  Fe  Fe40  1  0.546981  0.918308  0.441435  1
  Fe  Fe41  1  0.278479  0.442302  0.459422  1
  Fe  Fe42  1  0.778479  0.942302  0.459422  1
  Fe  Fe43  1  0.809852  0.473161  0.428372  1
  Fe  Fe44  1  0.309852  0.973161  0.428372  1
  Fe  Fe45  1  0.336843  0.198075  0.411238  1
  Fe  Fe46  1  0.836843  0.698075  0.411238  1
  Fe  Fe47  1  0.805783  0.168216  0.441780  1
  Fe  Fe48  1  0.305783  0.668216  0.441780  1
  Fe  Fe49  1  0.973563  0.129855  0.522549  1
  Fe  Fe50  1  0.473563  0.629855  0.522549  1
  Fe  Fe51  1  0.505264  0.160706  0.491429  1
  Fe  Fe52  1  0.005264  0.660706  0.491429  1
  Fe  Fe53  1  0.515003  0.387370  0.472580  1
  Fe  Fe54  1  0.015003  0.887370  0.472580  1
  Fe  Fe55  1  0.983302  0.356519  0.503700  1
  Fe  Fe56  1  0.483302  0.856519  0.503700  1
  Fe  Fe57  1  0.214589  0.380136  0.522165  1
  Fe  Fe58  1  0.714589  0.880136  0.522165  1
  Fe  Fe59  1  0.746487  0.411139  0.490792  1
  Fe  Fe60  1  0.246487  0.911139  0.490792  1
  Fe  Fe61  1  0.273977  0.137089  0.472965  1
  Fe  Fe62  1  0.773977  0.637089  0.472965  1
  Fe  Fe63  1  0.742079  0.106085  0.504338  1
  Fe  Fe64  1  0.242079  0.606085  0.504338  1
  Fe  Fe65  1  0.910197  0.068108  0.585138  1
  Fe  Fe66  1  0.410197  0.568108  0.585138  1
  Fe  Fe67  1  0.441585  0.098917  0.553694  1
  Fe  Fe68  1  0.941585  0.598917  0.553694  1
  Fe  Fe69  1  0.451451  0.325744  0.535064  1
  Fe  Fe70  1  0.951451  0.825744  0.535064  1
  Fe  Fe71  1  0.919535  0.294570  0.566362  1
  Fe  Fe72  1  0.419535  0.794570  0.566362  1
  Fe  Fe73  1  0.151723  0.319149  0.583891  1
  Fe  Fe74  1  0.651723  0.819149  0.583891  1
  Fe  Fe75  1  0.682783  0.349009  0.553349  1
  Fe  Fe76  1  0.182783  0.849009  0.553349  1
  Fe  Fe77  1  0.210087  0.074922  0.535707  1
  Fe  Fe78  1  0.710087  0.574922  0.535707  1
  Fe  Fe79  1  0.678714  0.044063  0.566757  1
  Fe  Fe80  1  0.178714  0.544063  0.566757  1
  Fe  Fe81  1  0.847373  0.007588  0.648675  1
  Fe  Fe82  1  0.347373  0.507588  0.648675  1
  Fe  Fe83  1  0.378029  0.038078  0.616301  1
  Fe  Fe84  1  0.878029  0.538078  0.616301  1
  Fe  Fe85  1  0.388146  0.264151  0.597484  1
  Fe  Fe86  1  0.888146  0.764151  0.597484  1
  Fe  Fe87  1  0.856861  0.232253  0.629206  1
  Fe  Fe88  1  0.356861  0.732253  0.629206  1
  Fe  Fe89  1  0.086960  0.252865  0.647680  1
  Fe  Fe90  1  0.586960  0.752865  0.647680  1
  Fe  Fe91  1  0.619239  0.287571  0.615415  1
  Fe  Fe92  1  0.119239  0.787571  0.615415  1
  Fe  Fe93  1  0.146382  0.014249  0.597453  1
  Fe  Fe94  1  0.646382  0.514249  0.597453  1
  Fe  Fe95  1  0.613558  0.981422  0.629173  1
  Fe  Fe96  1  0.113558  0.481422  0.629173  1
  Fe  Fe97  1  0.776589  0.938603  0.704473  1
  Fe  Fe98  1  0.276589  0.438603  0.704473  1
  Fe  Fe99  1  0.311130  0.975990  0.675180  1
  Fe  Fe100  1  0.811130  0.475990  0.675180  1
  Fe  Fe101  1  0.329115  0.205055  0.657911  1
  Fe  Fe102  1  0.829115  0.705055  0.657911  1
  Fe  Fe103  1  0.788109  0.169748  0.688743  1
  Fe  Fe104  1  0.288109  0.669748  0.688743  1
  Fe  Fe105  1  0.021027  0.201325  0.705609  1
  Fe  Fe106  1  0.521027  0.701325  0.705609  1
  Fe  Fe107  1  0.559324  0.226374  0.675855  1
  Fe  Fe108  1  0.059324  0.726374  0.675855  1
  Fe  Fe109  1  0.085196  0.954951  0.660174  1
  Fe  Fe110  1  0.585196  0.454951  0.660174  1
  Fe  Fe111  1  0.551884  0.922539  0.689043  1
  Fe  Fe112  1  0.051884  0.422539  0.689043  1
  P  P113  1  0.319768  0.666901  0.295190  1
  P  P114  1  0.819768  0.166901  0.295190  1
  P  P115  1  0.781337  0.638339  0.330974  1
  P  P116  1  0.281337  0.138339  0.330974  1
  P  P117  1  0.569074  0.217090  0.319558  1
  P  P118  1  0.069074  0.717090  0.319558  1
  P  P119  1  0.091098  0.256706  0.287239  1
  P  P120  1  0.591098  0.756706  0.287239  1
  P  P121  1  0.307588  0.395815  0.311207  1
  P  P122  1  0.807588  0.895815  0.311207  1
  P  P123  1  0.850901  0.436745  0.281301  1
  P  P124  1  0.350901  0.936745  0.281301  1
  P  P125  1  0.554741  0.489217  0.299305  1
  P  P126  1  0.054741  0.989217  0.299305  1
  P  P127  1  0.025679  0.457004  0.333995  1
  P  P128  1  0.525679  0.957004  0.333995  1
  P  P129  1  0.250709  0.603482  0.361936  1
  P  P130  1  0.750709  0.103482  0.361936  1
  P  P131  1  0.716599  0.572810  0.392811  1
  P  P132  1  0.216599  0.072810  0.392811  1
  P  P133  1  0.495258  0.160998  0.383108  1
  P  P134  1  0.995258  0.660998  0.383108  1
  P  P135  1  0.026109  0.187850  0.351786  1
  P  P136  1  0.526109  0.687850  0.351786  1
  P  P137  1  0.251591  0.337620  0.378434  1
  P  P138  1  0.751591  0.837620  0.378434  1
  P  P139  1  0.783702  0.368970  0.347701  1
  P  P140  1  0.283702  0.868970  0.347701  1
  P  P141  1  0.492590  0.426251  0.365270  1
  P  P142  1  0.992590  0.926251  0.365270  1
  P  P143  1  0.962229  0.396559  0.397859  1
  P  P144  1  0.462229  0.896559  0.397859  1
  P  P145  1  0.184514  0.542609  0.424197  1
  P  P146  1  0.684514  0.042609  0.424197  1
  P  P147  1  0.652939  0.511551  0.455624  1
  P  P148  1  0.152939  0.011551  0.455624  1
  P  P149  1  0.431455  0.098219  0.445874  1
  P  P150  1  0.931455  0.598219  0.445874  1
  P  P151  1  0.963368  0.128937  0.414411  1
  P  P152  1  0.463368  0.628937  0.414411  1
  P  P153  1  0.185663  0.276093  0.441002  1
  P  P154  1  0.685663  0.776093  0.441002  1
  P  P155  1  0.717306  0.307177  0.409607  1
  P  P156  1  0.217306  0.807177  0.409607  1
  P  P157  1  0.430607  0.364761  0.428889  1
  P  P158  1  0.930607  0.864761  0.428889  1
  P  P159  1  0.898028  0.333880  0.460265  1
  P  P160  1  0.398028  0.833880  0.460265  1
  P  P161  1  0.121482  0.480700  0.486831  1
  P  P162  1  0.621482  0.980700  0.486831  1
  P  P163  1  0.589382  0.449748  0.518107  1
  P  P164  1  0.089382  0.949748  0.518107  1
  P  P165  1  0.367084  0.036524  0.508298  1
  P  P166  1  0.867084  0.536524  0.508298  1
  P  P167  1  0.899184  0.067476  0.477023  1
  P  P168  1  0.399184  0.567476  0.477023  1
  P  P169  1  0.122351  0.214008  0.503593  1
  P  P170  1  0.622351  0.714008  0.503593  1
  P  P171  1  0.654056  0.245014  0.472269  1
  P  P172  1  0.154056  0.745014  0.472269  1
  P  P173  1  0.366215  0.303216  0.491537  1
  P  P174  1  0.866215  0.803216  0.491537  1
  P  P175  1  0.834510  0.272211  0.522860  1
  P  P176  1  0.334510  0.772211  0.522860  1
  P  P177  1  0.057111  0.419006  0.549255  1
  P  P178  1  0.557111  0.919006  0.549255  1
  P  P179  1  0.525198  0.388288  0.580718  1
  P  P180  1  0.025198  0.888288  0.580718  1
  P  P181  1  0.304052  0.974616  0.570932  1
  P  P182  1  0.804052  0.474616  0.570932  1
  P  P183  1  0.835627  0.005673  0.539505  1
  P  P184  1  0.335627  0.505673  0.539505  1
  P  P185  1  0.057959  0.152464  0.566240  1
  P  P186  1  0.557959  0.652464  0.566240  1
  P  P187  1  0.590538  0.183345  0.534864  1
  P  P188  1  0.090538  0.683345  0.534864  1
  P  P189  1  0.302903  0.241131  0.554127  1
  P  P190  1  0.802903  0.741131  0.554127  1
  P  P191  1  0.771260  0.210048  0.585522  1
  P  P192  1  0.271260  0.710048  0.585522  1
  P  P193  1  0.993307  0.356226  0.612022  1
  P  P194  1  0.493307  0.856226  0.612022  1
  P  P195  1  0.462457  0.329375  0.643343  1
  P  P196  1  0.962457  0.829375  0.643343  1
  P  P197  1  0.237857  0.913743  0.633193  1
  P  P198  1  0.737857  0.413743  0.633193  1
  P  P199  1  0.771967  0.944414  0.602318  1
  P  P200  1  0.271967  0.444414  0.602318  1
  P  P201  1  0.995976  0.090973  0.629859  1
  P  P202  1  0.495976  0.590973  0.629859  1
  P  P203  1  0.526337  0.120666  0.597271  1
  P  P204  1  0.026337  0.620666  0.597271  1
  P  P205  1  0.236975  0.179605  0.616696  1
  P  P206  1  0.736975  0.679605  0.616696  1
  P  P207  1  0.704864  0.148254  0.647428  1
  P  P208  1  0.204864  0.648254  0.647428  1
  P  P209  1  0.919492  0.300135  0.675571  1
  P  P210  1  0.419492  0.800135  0.675571  1
  P  P211  1  0.397468  0.260519  0.707890  1
  P  P212  1  0.897468  0.760519  0.707890  1
  P  P213  1  0.168798  0.850323  0.699940  1
  P  P214  1  0.668798  0.350323  0.699940  1
  P  P215  1  0.707229  0.878886  0.664155  1
  P  P216  1  0.207229  0.378886  0.664155  1
  P  P217  1  0.933825  0.028008  0.695824  1
  P  P218  1  0.433825  0.528008  0.695824  1
  P  P219  1  0.462887  0.060220  0.661134  1
  P  P220  1  0.962887  0.560220  0.661134  1
  P  P221  1  0.180978  0.121410  0.683922  1
  P  P222  1  0.680978  0.621410  0.683922  1
  P  P223  1  0.637665  0.080480  0.713829  1
  P  P224  1  0.137665  0.580480  0.713829  1
