# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13915034
_cell_length_b   20.96482502
_cell_length_c   53.79442146
_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   'Fe60 P60'
_cell_volume   3540.30434759
_cell_formula_units_Z   60
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  0.249971  0.588914  0.336146  1
  Fe  Fe2  1  0.249971  0.836620  0.287240  1
  Fe  Fe3  1  0.249971  0.208984  0.308340  1
  Fe  Fe4  1  0.749971  0.902021  0.325783  1
  Fe  Fe5  1  0.749971  0.288766  0.361493  1
  Fe  Fe6  1  0.749971  0.516253  0.301588  1
  Fe  Fe7  1  0.749971  0.777672  0.352833  1
  Fe  Fe8  1  0.749971  0.027535  0.301190  1
  Fe  Fe9  1  0.749971  0.391322  0.322726  1
  Fe  Fe10  1  0.249971  0.713153  0.315836  1
  Fe  Fe11  1  0.249971  0.094499  0.339142  1
  Fe  Fe12  1  0.249971  0.331553  0.287458  1
  Fe  Fe13  1  0.249971  0.744574  0.427493  1
  Fe  Fe14  1  0.249971  0.970093  0.366293  1
  Fe  Fe15  1  0.249971  0.359099  0.397992  1
  Fe  Fe16  1  0.749971  0.059622  0.420156  1
  Fe  Fe17  1  0.749971  0.446046  0.451958  1
  Fe  Fe18  1  0.749971  0.675086  0.390819  1
  Fe  Fe19  1  0.749971  0.932656  0.443794  1
  Fe  Fe20  1  0.749971  0.159971  0.382387  1
  Fe  Fe21  1  0.749971  0.547677  0.413881  1
  Fe  Fe22  1  0.249971  0.871274  0.404477  1
  Fe  Fe23  1  0.249971  0.256700  0.435191  1
  Fe  Fe24  1  0.249971  0.486933  0.375139  1
  Fe  Fe25  1  0.249971  0.900829  0.518779  1
  Fe  Fe26  1  0.249971  0.129141  0.457517  1
  Fe  Fe27  1  0.249971  0.515948  0.488657  1
  Fe  Fe28  1  0.749971  0.216333  0.512082  1
  Fe  Fe29  1  0.749971  0.603140  0.543222  1
  Fe  Fe30  1  0.749971  0.831451  0.481961  1
  Fe  Fe31  1  0.749971  0.088766  0.534939  1
  Fe  Fe32  1  0.749971  0.317896  0.474401  1
  Fe  Fe33  1  0.749971  0.704181  0.504995  1
  Fe  Fe34  1  0.249971  0.028099  0.495745  1
  Fe  Fe35  1  0.249971  0.414384  0.526339  1
  Fe  Fe36  1  0.249971  0.643514  0.465801  1
  Fe  Fe37  1  0.249971  0.057195  0.609921  1
  Fe  Fe38  1  0.249971  0.286234  0.548782  1
  Fe  Fe39  1  0.249971  0.672659  0.580583  1
  Fe  Fe40  1  0.749971  0.373182  0.602747  1
  Fe  Fe41  1  0.749971  0.762187  0.634447  1
  Fe  Fe42  1  0.749971  0.987707  0.573247  1
  Fe  Fe43  1  0.749971  0.245347  0.625600  1
  Fe  Fe44  1  0.749971  0.475580  0.565548  1
  Fe  Fe45  1  0.749971  0.861006  0.596262  1
  Fe  Fe46  1  0.249971  0.184603  0.586859  1
  Fe  Fe47  1  0.249971  0.572310  0.618352  1
  Fe  Fe48  1  0.249971  0.799625  0.556945  1
  Fe  Fe49  1  0.249971  0.216028  0.699151  1
  Fe  Fe50  1  0.249971  0.443515  0.639246  1
  Fe  Fe51  1  0.249971  0.830259  0.674957  1
  Fe  Fe52  1  0.749971  0.523297  0.692399  1
  Fe  Fe53  1  0.749971  0.895660  0.713499  1
  Fe  Fe54  1  0.749971  0.143367  0.664593  1
  Fe  Fe55  1  0.749971  0.400728  0.713282  1
  Fe  Fe56  1  0.749971  0.637782  0.661598  1
  Fe  Fe57  1  0.749971  0.019128  0.684904  1
  Fe  Fe58  1  0.249971  0.340959  0.678014  1
  Fe  Fe59  1  0.249971  0.704745  0.699549  1
  Fe  Fe60  1  0.249971  0.954609  0.647906  1
  P  P61  1  0.249971  0.695049  0.356736  1
  P  P62  1  0.249971  0.941182  0.293245  1
  P  P63  1  0.249971  0.311612  0.328193  1
  P  P64  1  0.749971  0.790928  0.310015  1
  P  P65  1  0.749971  0.178107  0.340398  1
  P  P66  1  0.749971  0.415350  0.278472  1
  P  P67  1  0.749971  0.627176  0.304799  1
  P  P68  1  0.749971  0.009431  0.341063  1
  P  P69  1  0.749971  0.246121  0.276766  1
  P  P70  1  0.249971  0.865124  0.356436  1
  P  P71  1  0.249971  0.104330  0.292010  1
  P  P72  1  0.249971  0.479616  0.328504  1
  P  P73  1  0.249971  0.852947  0.447554  1
  P  P74  1  0.249971  0.081827  0.385619  1
  P  P75  1  0.249971  0.467875  0.417913  1
  P  P76  1  0.749971  0.950986  0.400814  1
  P  P77  1  0.749971  0.336894  0.431790  1
  P  P78  1  0.749971  0.566399  0.370874  1
  P  P79  1  0.749971  0.783359  0.399458  1
  P  P80  1  0.749971  0.167525  0.429967  1
  P  P81  1  0.749971  0.397968  0.370324  1
  P  P82  1  0.249971  0.021320  0.448388  1
  P  P83  1  0.249971  0.249756  0.388311  1
  P  P84  1  0.249971  0.636466  0.418639  1
  P  P85  1  0.249971  0.009243  0.538841  1
  P  P86  1  0.249971  0.237967  0.477922  1
  P  P87  1  0.249971  0.624659  0.508860  1
  P  P88  1  0.749971  0.107621  0.491880  1
  P  P89  1  0.749971  0.494313  0.522818  1
  P  P90  1  0.749971  0.723037  0.461898  1
  P  P91  1  0.749971  0.939526  0.490954  1
  P  P92  1  0.749971  0.325017  0.521334  1
  P  P93  1  0.749971  0.554704  0.461002  1
  P  P94  1  0.249971  0.177576  0.539738  1
  P  P95  1  0.249971  0.407264  0.479406  1
  P  P96  1  0.249971  0.792754  0.509785  1
  P  P97  1  0.249971  0.165881  0.629865  1
  P  P98  1  0.249971  0.395386  0.568950  1
  P  P99  1  0.249971  0.781295  0.599926  1
  P  P100  1  0.749971  0.264406  0.582826  1
  P  P101  1  0.749971  0.650453  0.615120  1
  P  P102  1  0.749971  0.879334  0.553186  1
  P  P103  1  0.749971  0.095815  0.582101  1
  P  P104  1  0.749971  0.482524  0.612428  1
  P  P105  1  0.749971  0.710960  0.552351  1
  P  P106  1  0.249971  0.334313  0.630416  1
  P  P107  1  0.249971  0.564756  0.570772  1
  P  P108  1  0.249971  0.948921  0.601282  1
  P  P109  1  0.249971  0.316931  0.722267  1
  P  P110  1  0.249971  0.554173  0.660342  1
  P  P111  1  0.249971  0.941352  0.690725  1
  P  P112  1  0.749971  0.420669  0.672547  1
  P  P113  1  0.749971  0.791099  0.707495  1
  P  P114  1  0.749971  0.037232  0.644004  1
  P  P115  1  0.749971  0.252664  0.672235  1
  P  P116  1  0.749971  0.627951  0.708729  1
  P  P117  1  0.749971  0.867157  0.644303  1
  P  P118  1  0.249971  0.486160  0.723974  1
  P  P119  1  0.249971  0.722850  0.659676  1
  P  P120  1  0.249971  0.105105  0.695941  1
