# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77986037
_cell_length_b   15.07673910
_cell_length_c   49.31776059
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe72 P72'
_cell_volume   4297.62101279
_cell_formula_units_Z   72
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  0.016993  0.842203  0.308840  1
  Fe  Fe2  1  0.011030  0.412422  0.285280  1
  Fe  Fe3  1  1.002300  0.038112  0.316011  1
  Fe  Fe4  1  0.012336  0.598585  0.292127  1
  Fe  Fe5  1  0.499461  0.060200  0.319629  1
  Fe  Fe6  1  0.492163  0.628586  0.298316  1
  Fe  Fe7  1  0.504078  0.820217  0.304437  1
  Fe  Fe8  1  0.501643  0.386752  0.280646  1
  Fe  Fe9  1  0.010391  0.717485  0.357089  1
  Fe  Fe10  1  0.009275  0.280631  0.330324  1
  Fe  Fe11  1  0.994604  0.910088  0.363434  1
  Fe  Fe12  1  0.984584  0.473938  0.338545  1
  Fe  Fe13  1  0.497078  0.935487  0.369660  1
  Fe  Fe14  1  0.496711  0.499821  0.345187  1
  Fe  Fe15  1  0.515510  0.692320  0.351092  1
  Fe  Fe16  1  0.514962  0.256212  0.326083  1
  Fe  Fe17  1  0.012898  0.586697  0.407466  1
  Fe  Fe18  1  0.013084  0.151559  0.382328  1
  Fe  Fe19  1  0.994994  0.779393  0.413655  1
  Fe  Fe20  1  0.993898  0.343606  0.388292  1
  Fe  Fe21  1  0.494725  0.805099  0.419721  1
  Fe  Fe22  1  0.492966  0.369150  0.394481  1
  Fe  Fe23  1  0.512320  0.561190  0.401489  1
  Fe  Fe24  1  0.514219  0.127723  0.375036  1
  Fe  Fe25  1  0.012996  0.457303  0.457159  1
  Fe  Fe26  1  0.013624  0.022897  0.432036  1
  Fe  Fe27  1  0.994079  0.649763  0.463452  1
  Fe  Fe28  1  0.994332  0.214905  0.438099  1
  Fe  Fe29  1  0.494308  0.675235  0.469685  1
  Fe  Fe30  1  0.494448  0.239887  0.444442  1
  Fe  Fe31  1  0.513036  0.432071  0.450877  1
  Fe  Fe32  1  0.513697  0.996965  0.425902  1
  Fe  Fe33  1  0.013024  0.327671  0.507121  1
  Fe  Fe34  1  0.013591  0.892968  0.482115  1
  Fe  Fe35  1  0.994020  0.519789  0.513385  1
  Fe  Fe36  1  0.994587  0.085086  0.488379  1
  Fe  Fe37  1  0.493965  0.545113  0.519721  1
  Fe  Fe38  1  0.494566  0.110284  0.494686  1
  Fe  Fe39  1  0.513044  0.302474  0.500814  1
  Fe  Fe40  1  0.513645  0.867645  0.475779  1
  Fe  Fe41  1  0.013278  0.197852  0.557401  1
  Fe  Fe42  1  0.013532  0.762994  0.532048  1
  Fe  Fe43  1  0.993986  0.389860  0.563464  1
  Fe  Fe44  1  0.994614  0.955454  0.538342  1
  Fe  Fe45  1  0.493913  0.415792  0.569598  1
  Fe  Fe46  1  0.494575  0.980686  0.544623  1
  Fe  Fe47  1  0.513163  0.172870  0.551059  1
  Fe  Fe48  1  0.513302  0.737522  0.525815  1
  Fe  Fe49  1  0.013712  0.069151  0.607208  1
  Fe  Fe50  1  0.012616  0.633365  0.581846  1
  Fe  Fe51  1  0.994526  0.261198  0.613172  1
  Fe  Fe52  1  0.994712  0.826060  0.588034  1
  Fe  Fe53  1  0.493391  0.285034  0.620464  1
  Fe  Fe54  1  0.495290  0.851567  0.594011  1
  Fe  Fe55  1  0.514645  0.043607  0.601019  1
  Fe  Fe56  1  0.512885  0.607658  0.575779  1
  Fe  Fe57  1  0.023026  0.938819  0.656955  1
  Fe  Fe58  1  0.013006  0.502669  0.632066  1
  Fe  Fe59  1  0.998335  0.132126  0.665177  1
  Fe  Fe60  1  0.997219  0.695272  0.638411  1
  Fe  Fe61  1  0.492648  0.156545  0.669417  1
  Fe  Fe62  1  0.492100  0.720437  0.644408  1
  Fe  Fe63  1  0.510899  0.912937  0.650313  1
  Fe  Fe64  1  0.510532  0.477270  0.625840  1
  Fe  Fe65  1  0.995274  0.814172  0.703373  1
  Fe  Fe66  1  0.005311  0.374645  0.679489  1
  Fe  Fe67  1  0.996580  1.000335  0.710220  1
  Fe  Fe68  1  0.990617  0.570554  0.686660  1
  Fe  Fe69  1  0.505967  0.026006  0.714854  1
  Fe  Fe70  1  0.503533  0.592540  0.691063  1
  Fe  Fe71  1  0.515447  0.784171  0.697184  1
  Fe  Fe72  1  0.508150  0.352557  0.675871  1
  P  P73  1  0.248583  0.170855  0.300218  1
  P  P74  1  0.244833  0.732449  0.276443  1
  P  P75  1  0.778276  0.718408  0.313610  1
  P  P76  1  0.773435  0.282433  0.286930  1
  P  P77  1  0.262328  0.951901  0.288681  1
  P  P78  1  0.270387  0.388447  0.317272  1
  P  P79  1  0.749609  0.064995  0.277651  1
  P  P80  1  0.717190  0.503657  0.300184  1
  P  P81  1  0.239745  0.040501  0.353862  1
  P  P82  1  0.232042  0.604411  0.330546  1
  P  P83  1  0.770507  0.587709  0.366100  1
  P  P84  1  0.776197  0.153470  0.340003  1
  P  P85  1  0.271837  0.822595  0.342527  1
  P  P86  1  0.268191  0.256183  0.366053  1
  P  P87  1  0.735148  0.933055  0.327766  1
  P  P88  1  0.735039  0.369949  0.353103  1
  P  P89  1  0.236340  0.910508  0.404319  1
  P  P90  1  0.233858  0.473975  0.379535  1
  P  P91  1  0.771298  0.456697  0.416032  1
  P  P92  1  0.772210  0.022544  0.390736  1
  P  P93  1  0.271538  0.692328  0.392162  1
  P  P94  1  0.273114  0.127413  0.416745  1
  P  P95  1  0.736788  0.804426  0.378581  1
  P  P96  1  0.734519  0.239592  0.402978  1
  P  P97  1  0.236225  0.780273  0.454521  1
  P  P98  1  0.235804  0.344469  0.429428  1
  P  P99  1  0.771534  0.327071  0.465881  1
  P  P100  1  0.772581  0.892540  0.440954  1
  P  P101  1  0.271414  0.562251  0.442161  1
  P  P102  1  0.271742  0.997962  0.466954  1
  P  P103  1  0.735803  0.674597  0.428606  1
  P  P104  1  0.736211  0.110073  0.453372  1
  P  P105  1  0.235779  0.650197  0.504494  1
  P  P106  1  0.235955  0.215046  0.479459  1
  P  P107  1  0.771655  0.197711  0.516041  1
  P  P108  1  0.771831  0.762560  0.491007  1
  P  P109  1  0.271574  0.432462  0.492030  1
  P  P110  1  0.271972  0.868050  0.516904  1
  P  P111  1  0.735638  0.544707  0.478596  1
  P  P112  1  0.736036  0.980295  0.503470  1
  P  P113  1  0.235029  0.520217  0.554546  1
  P  P114  1  0.236076  0.085686  0.529620  1
  P  P115  1  0.771806  0.068289  0.566072  1
  P  P116  1  0.771385  0.632485  0.540979  1
  P  P117  1  0.271399  0.302684  0.542128  1
  P  P118  1  0.271807  0.738160  0.566894  1
  P  P119  1  0.735868  0.414796  0.528547  1
  P  P120  1  0.736197  0.850506  0.553339  1
  P  P121  1  0.235401  0.390213  0.604764  1
  P  P122  1  0.236313  0.956060  0.579469  1
  P  P123  1  0.773752  0.938782  0.615965  1
  P  P124  1  0.771270  0.502249  0.591182  1
  P  P125  1  0.273092  0.173165  0.592523  1
  P  P126  1  0.270822  0.608331  0.616919  1
  P  P127  1  0.734496  0.285344  0.578755  1
  P  P128  1  0.736072  0.720430  0.603338  1
  P  P129  1  0.231413  0.259288  0.655497  1
  P  P130  1  0.237103  0.825048  0.629400  1
  P  P131  1  0.775568  0.808346  0.664955  1
  P  P132  1  0.767865  0.372256  0.641638  1
  P  P133  1  0.272571  0.042808  0.642397  1
  P  P134  1  0.272462  0.479702  0.667735  1
  P  P135  1  0.739420  0.156574  0.629447  1
  P  P136  1  0.735773  0.590162  0.652973  1
  P  P137  1  0.234175  0.130324  0.708570  1
  P  P138  1  0.229335  0.694349  0.681890  1
  P  P139  1  0.762777  0.680309  0.719058  1
  P  P140  1  0.759027  0.241902  0.695282  1
  P  P141  1  0.290420  0.909100  0.695316  1
  P  P142  1  0.258001  0.347762  0.717850  1
  P  P143  1  0.737223  0.024311  0.678228  1
  P  P144  1  0.745282  0.460857  0.706819  1
