# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70228596
_cell_length_b   8.71084485
_cell_length_c   47.16598775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.49742556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe90 P45'
_cell_volume   3461.53877345
_cell_formula_units_Z   45
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  0.684561  0.977647  0.307358  1
  Fe  Fe2  1  0.069424  0.360850  0.306983  1
  Fe  Fe3  1  0.368554  0.629112  0.295685  1
  Fe  Fe4  1  0.757848  0.282321  0.297967  1
  Fe  Fe5  1  0.907849  0.870800  0.281295  1
  Fe  Fe6  1  0.167575  0.121905  0.280109  1
  Fe  Fe7  1  0.868894  0.778640  0.334575  1
  Fe  Fe8  1  0.274065  0.170374  0.331925  1
  Fe  Fe9  1  0.574055  0.443747  0.322705  1
  Fe  Fe10  1  0.957996  0.084625  0.325232  1
  Fe  Fe11  1  0.101262  0.664101  0.307757  1
  Fe  Fe12  1  0.371231  0.927495  0.306657  1
  Fe  Fe13  1  0.066107  0.559374  0.361280  1
  Fe  Fe14  1  0.478635  0.969669  0.360169  1
  Fe  Fe15  1  0.790173  0.248598  0.350447  1
  Fe  Fe16  1  0.158209  0.883022  0.356468  1
  Fe  Fe17  1  0.301907  0.465593  0.338895  1
  Fe  Fe18  1  0.566516  0.731483  0.337524  1
  Fe  Fe19  1  0.274246  0.377987  0.394014  1
  Fe  Fe20  1  0.677469  0.768242  0.389915  1
  Fe  Fe21  1  0.976200  0.036180  0.381779  1
  Fe  Fe22  1  0.357803  0.684476  0.386030  1
  Fe  Fe23  1  0.502677  0.269774  0.367441  1
  Fe  Fe24  1  0.766017  0.531898  0.366756  1
  Fe  Fe25  1  0.472015  0.180044  0.423370  1
  Fe  Fe26  1  0.874716  0.569900  0.419614  1
  Fe  Fe27  1  0.177193  0.844871  0.411921  1
  Fe  Fe28  1  0.558453  0.485369  0.414931  1
  Fe  Fe29  1  0.700608  0.070623  0.397555  1
  Fe  Fe30  1  0.966212  0.333060  0.396878  1
  Fe  Fe31  1  0.673054  0.982718  0.452960  1
  Fe  Fe32  1  0.074758  0.370556  0.448696  1
  Fe  Fe33  1  0.373739  0.639845  0.440297  1
  Fe  Fe34  1  0.757040  0.286784  0.444042  1
  Fe  Fe35  1  0.900752  0.870658  0.427072  1
  Fe  Fe36  1  0.166016  0.133023  0.426283  1
  Fe  Fe37  1  0.873238  0.782191  0.481738  1
  Fe  Fe38  1  0.274137  0.171150  0.478213  1
  Fe  Fe39  1  0.574893  0.440887  0.469273  1
  Fe  Fe40  1  0.955483  0.087524  0.473674  1
  Fe  Fe41  1  0.099876  0.671429  0.456470  1
  Fe  Fe42  1  0.365796  0.934013  0.455620  1
  Fe  Fe43  1  0.072017  0.583891  0.511819  1
  Fe  Fe44  1  0.472951  0.972170  0.507342  1
  Fe  Fe45  1  0.773588  0.240724  0.498850  1
  Fe  Fe46  1  0.154670  0.887409  0.503078  1
  Fe  Fe47  1  0.298983  0.472420  0.485921  1
  Fe  Fe48  1  0.565416  0.734969  0.484955  1
  Fe  Fe49  1  0.271891  0.384901  0.541080  1
  Fe  Fe50  1  0.662964  0.772057  0.540154  1
  Fe  Fe51  1  0.971649  0.041319  0.528515  1
  Fe  Fe52  1  0.354474  0.687171  0.532321  1
  Fe  Fe53  1  0.498053  0.273475  0.515284  1
  Fe  Fe54  1  0.764958  0.535841  0.514343  1
  Fe  Fe55  1  0.470146  0.185698  0.570543  1
  Fe  Fe56  1  0.873921  0.571045  0.566304  1
  Fe  Fe57  1  0.169679  0.842236  0.557620  1
  Fe  Fe58  1  0.554104  0.486946  0.561778  1
  Fe  Fe59  1  0.697641  0.073651  0.544489  1
  Fe  Fe60  1  0.964241  0.336155  0.543715  1
  Fe  Fe61  1  0.663805  0.961972  0.594385  1
  Fe  Fe62  1  0.072441  0.373460  0.594844  1
  Fe  Fe63  1  0.387600  0.654814  0.586050  1
  Fe  Fe64  1  0.752059  0.286816  0.591051  1
  Fe  Fe65  1  0.898791  0.873377  0.574046  1
  Fe  Fe66  1  0.163594  0.136420  0.573138  1
  Fe  Fe67  1  0.872513  0.786563  0.629896  1
  Fe  Fe68  1  0.270327  0.175090  0.626675  1
  Fe  Fe69  1  0.571719  0.438125  0.616925  1
  Fe  Fe70  1  0.949881  0.087360  0.620156  1
  Fe  Fe71  1  0.098040  0.675486  0.603451  1
  Fe  Fe72  1  0.362608  0.937647  0.602556  1
  Fe  Fe73  1  0.066832  0.582698  0.660141  1
  Fe  Fe74  1  0.452794  0.968270  0.660251  1
  Fe  Fe75  1  0.778505  0.259048  0.648104  1
  Fe  Fe76  1  0.152736  0.883295  0.649990  1
  Fe  Fe77  1  0.297930  0.476005  0.632374  1
  Fe  Fe78  1  0.562348  0.737279  0.631949  1
  Fe  Fe79  1  0.261481  0.364583  0.682881  1
  Fe  Fe80  1  0.672557  0.776377  0.683568  1
  Fe  Fe81  1  0.969202  0.055634  0.674919  1
  Fe  Fe82  1  0.350595  0.684930  0.679309  1
  Fe  Fe83  1  0.504623  0.273703  0.662824  1
  Fe  Fe84  1  0.763539  0.531615  0.662629  1
  Fe  Fe85  1  0.438120  0.159486  0.711251  1
  Fe  Fe86  1  0.874616  0.592828  0.711754  1
  Fe  Fe87  1  0.186362  0.849241  0.702626  1
  Fe  Fe88  1  0.544113  0.490351  0.708459  1
  Fe  Fe89  1  0.698373  0.078191  0.690195  1
  Fe  Fe90  1  0.957666  0.335578  0.689929  1
  P  P91  1  0.335635  0.361873  0.291290  1
  P  P92  1  0.664080  0.699184  0.293184  1
  P  P93  1  0.901127  0.143354  0.275754  1
  P  P94  1  0.538035  0.160710  0.323442  1
  P  P95  1  0.872434  0.500885  0.323792  1
  P  P96  1  0.109990  0.926884  0.311263  1
  P  P97  1  0.742561  0.963957  0.354734  1
  P  P98  1  0.076394  0.290445  0.354948  1
  P  P99  1  0.307222  0.729583  0.341050  1
  P  P100  1  0.943608  0.759318  0.382815  1
  P  P101  1  0.277075  0.095155  0.383463  1
  P  P102  1  0.508067  0.529791  0.369468  1
  P  P103  1  0.140663  0.562961  0.412269  1
  P  P104  1  0.476261  0.896910  0.412962  1
  P  P105  1  0.707601  0.329027  0.397993  1
  P  P106  1  0.340337  0.363425  0.442243  1
  P  P107  1  0.674968  0.697956  0.442248  1
  P  P108  1  0.907088  0.130482  0.427747  1
  P  P109  1  0.540266  0.164551  0.471687  1
  P  P110  1  0.874456  0.497965  0.471721  1
  P  P111  1  0.106606  0.931808  0.457504  1
  P  P112  1  0.738081  0.962549  0.501397  1
  P  P113  1  0.073133  0.298825  0.501123  1
  P  P114  1  0.306559  0.732051  0.486669  1
  P  P115  1  0.935705  0.764378  0.530533  1
  P  P116  1  0.271806  0.099826  0.530402  1
  P  P117  1  0.507345  0.533292  0.515801  1
  P  P118  1  0.140226  0.567149  0.560119  1
  P  P119  1  0.467626  0.901201  0.559218  1
  P  P120  1  0.705452  0.332975  0.545217  1
  P  P121  1  0.338617  0.366989  0.589534  1
  P  P122  1  0.674144  0.694229  0.589783  1
  P  P123  1  0.904722  0.134182  0.574907  1
  P  P124  1  0.537137  0.160147  0.618984  1
  P  P125  1  0.872415  0.502040  0.618677  1
  P  P126  1  0.105094  0.935029  0.604460  1
  P  P127  1  0.731661  0.964992  0.646289  1
  P  P128  1  0.071005  0.301906  0.646058  1
  P  P129  1  0.305543  0.733153  0.633035  1
  P  P130  1  0.938691  0.774127  0.678335  1
  P  P131  1  0.259991  0.096507  0.676976  1
  P  P132  1  0.506666  0.532606  0.662524  1
  P  P133  1  0.146499  0.550411  0.710190  1
  P  P134  1  0.484238  0.889301  0.710277  1
  P  P135  1  0.706605  0.328470  0.700597  1
