# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54576600
_cell_length_b   8.26507344
_cell_length_c   48.56653954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.51763034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe48 P48'
_cell_volume   3014.12177184
_cell_formula_units_Z   48
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  0.385208  0.850052  0.300389  1
  Fe  Fe2  1  0.050255  0.688274  0.332260  1
  Fe  Fe3  1  0.671834  0.212135  0.312171  1
  Fe  Fe4  1  0.349338  0.059297  0.343006  1
  Fe  Fe5  1  0.873251  0.113583  0.348742  1
  Fe  Fe6  1  0.225997  0.287381  0.316902  1
  Fe  Fe7  1  0.532662  0.646734  0.327238  1
  Fe  Fe8  1  0.884701  0.820801  0.296819  1
  Fe  Fe9  1  0.715712  0.526532  0.365606  1
  Fe  Fe10  1  0.343647  0.342016  0.405274  1
  Fe  Fe11  1  0.996128  0.884383  0.378553  1
  Fe  Fe12  1  0.649527  0.712134  0.414277  1
  Fe  Fe13  1  0.173141  0.767772  0.420634  1
  Fe  Fe14  1  0.519175  0.938002  0.385998  1
  Fe  Fe15  1  0.830641  0.295589  0.397805  1
  Fe  Fe16  1  0.172800  0.461173  0.362362  1
  Fe  Fe17  1  0.003230  0.174567  0.439930  1
  Fe  Fe18  1  0.655376  0.003033  0.475665  1
  Fe  Fe19  1  0.296346  0.539965  0.450768  1
  Fe  Fe20  1  0.950161  0.369256  0.486099  1
  Fe  Fe21  1  0.475655  0.424307  0.492269  1
  Fe  Fe22  1  0.822741  0.595071  0.456298  1
  Fe  Fe23  1  0.130206  0.948133  0.469680  1
  Fe  Fe24  1  0.477699  0.120173  0.434132  1
  Fe  Fe25  1  0.307540  0.831550  0.511459  1
  Fe  Fe26  1  0.961354  0.660842  0.546790  1
  Fe  Fe27  1  0.602324  0.197774  0.521893  1
  Fe  Fe28  1  0.254470  0.026240  0.557628  1
  Fe  Fe29  1  0.780001  0.080634  0.563426  1
  Fe  Fe30  1  0.127495  0.252674  0.527878  1
  Fe  Fe31  1  0.434960  0.605736  0.541260  1
  Fe  Fe32  1  0.782045  0.776499  0.505289  1
  Fe  Fe33  1  0.608174  0.488673  0.583281  1
  Fe  Fe34  1  0.261573  0.316424  0.619005  1
  Fe  Fe35  1  0.914053  0.858791  0.592284  1
  Fe  Fe36  1  0.541988  0.674275  0.631951  1
  Fe  Fe37  1  0.084901  0.739634  0.635196  1
  Fe  Fe38  1  0.427059  0.905218  0.599753  1
  Fe  Fe39  1  0.738526  0.262805  0.611560  1
  Fe  Fe40  1  0.084560  0.433035  0.576924  1
  Fe  Fe41  1  0.908363  0.141510  0.654552  1
  Fe  Fe42  1  0.585867  0.988671  0.685387  1
  Fe  Fe43  1  0.207446  0.512532  0.665297  1
  Fe  Fe44  1  0.872493  0.350755  0.697169  1
  Fe  Fe45  1  0.373000  0.380006  0.700739  1
  Fe  Fe46  1  0.725038  0.554073  0.670319  1
  Fe  Fe47  1  0.031703  0.913426  0.680656  1
  Fe  Fe48  1  0.384449  0.087224  0.648816  1
  P  P49  1  0.376899  0.551007  0.285466  1
  P  P50  1  0.010542  0.375676  0.319147  1
  P  P51  1  0.740810  0.539521  0.313933  1
  P  P52  1  0.398447  0.379472  0.354402  1
  P  P53  1  0.704696  0.957218  0.302694  1
  P  P54  1  0.346315  0.771269  0.344127  1
  P  P55  1  0.396423  0.142785  0.293118  1
  P  P56  1  0.059527  0.978864  0.332953  1
  P  P57  1  0.660885  0.199743  0.358515  1
  P  P58  1  0.307966  0.028751  0.393608  1
  P  P59  1  0.039598  0.202388  0.389477  1
  P  P60  1  0.692514  0.032085  0.425168  1
  P  P61  1  0.996562  0.602141  0.378029  1
  P  P62  1  0.644192  0.430665  0.413478  1
  P  P63  1  0.706482  0.804457  0.368403  1
  P  P64  1  0.356756  0.627691  0.405016  1
  P  P65  1  0.959220  0.855387  0.429263  1
  P  P66  1  0.610596  0.684446  0.465143  1
  P  P67  1  0.343272  0.858970  0.461057  1
  P  P68  1  0.995180  0.688057  0.496552  1
  P  P69  1  0.296076  0.257338  0.450303  1
  P  P70  1  0.947434  0.085968  0.485540  1
  P  P71  1  0.005186  0.458565  0.440321  1
  P  P72  1  0.657822  0.286323  0.476024  1
  P  P73  1  0.262521  0.512749  0.501006  1
  P  P74  1  0.914429  0.341837  0.536501  1
  P  P75  1  0.647105  0.516361  0.532415  1
  P  P76  1  0.298481  0.345420  0.568295  1
  P  P77  1  0.599878  0.914483  0.521534  1
  P  P78  1  0.252515  0.742242  0.557236  1
  P  P79  1  0.310266  0.114839  0.512017  1
  P  P80  1  0.961624  0.943469  0.547255  1
  P  P81  1  0.565187  0.168722  0.572390  1
  P  P82  1  0.218103  0.998419  0.608080  1
  P  P83  1  0.949734  0.172055  0.603950  1
  P  P84  1  0.596816  1.001064  0.639042  1
  P  P85  1  0.900944  0.573116  0.592542  1
  P  P86  1  0.551219  0.396350  0.629155  1
  P  P87  1  0.613509  0.770142  0.584080  1
  P  P88  1  0.261139  0.598666  0.619529  1
  P  P89  1  0.859253  0.821335  0.643156  1
  P  P90  1  0.516890  0.661286  0.683624  1
  P  P91  1  0.247158  0.825131  0.678411  1
  P  P92  1  0.880802  0.649799  0.712091  1
  P  P93  1  0.198173  0.221942  0.664605  1
  P  P94  1  0.861278  0.058022  0.704440  1
  P  P95  1  0.911385  0.429538  0.653431  1
  P  P96  1  0.553004  0.243589  0.694864  1
