# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87376649
_cell_length_b   11.99670434
_cell_length_c   48.85018436
_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   'Fe56 P56'
_cell_volume   3442.26927071
_cell_formula_units_Z   56
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  0.707042  0.144908  0.326464  1
  Fe  Fe2  1  0.724490  0.682555  0.297040  1
  Fe  Fe3  1  0.300410  0.648999  0.326099  1
  Fe  Fe4  1  0.285869  0.188860  0.297695  1
  Fe  Fe5  1  0.208077  0.963146  0.282208  1
  Fe  Fe6  1  0.210938  0.417752  0.312661  1
  Fe  Fe7  1  0.786779  0.912351  0.309942  1
  Fe  Fe8  1  0.801038  0.375627  0.341088  1
  Fe  Fe9  1  0.710193  0.075783  0.386921  1
  Fe  Fe10  1  0.704496  0.611360  0.352337  1
  Fe  Fe11  1  0.296408  0.584741  0.386787  1
  Fe  Fe12  1  0.295936  0.118411  0.356619  1
  Fe  Fe13  1  0.217833  0.886578  0.339375  1
  Fe  Fe14  1  0.213886  0.352176  0.372049  1
  Fe  Fe15  1  0.797772  0.842933  0.370818  1
  Fe  Fe16  1  0.793933  0.309811  0.402973  1
  Fe  Fe17  1  0.710811  0.007753  0.449035  1
  Fe  Fe18  1  0.712698  0.540915  0.419816  1
  Fe  Fe19  1  0.295211  0.516592  0.450249  1
  Fe  Fe20  1  0.294938  0.050588  0.418256  1
  Fe  Fe21  1  0.210815  0.816635  0.402985  1
  Fe  Fe22  1  0.210388  0.283668  0.434412  1
  Fe  Fe23  1  0.795124  0.774748  0.433534  1
  Fe  Fe24  1  0.795194  0.240742  0.464534  1
  Fe  Fe25  1  0.711265  0.939882  0.511784  1
  Fe  Fe26  1  0.710907  0.473989  0.480485  1
  Fe  Fe27  1  0.294961  0.448217  0.512211  1
  Fe  Fe28  1  0.294603  0.982325  0.480912  1
  Fe  Fe29  1  0.211876  0.749990  0.464945  1
  Fe  Fe30  1  0.211320  0.214993  0.496534  1
  Fe  Fe31  1  0.794548  0.707214  0.496162  1
  Fe  Fe32  1  0.793992  0.172216  0.527751  1
  Fe  Fe33  1  0.710930  0.871618  0.574439  1
  Fe  Fe34  1  0.710657  0.405614  0.542446  1
  Fe  Fe35  1  0.293170  0.381291  0.572879  1
  Fe  Fe36  1  0.295057  0.914453  0.543661  1
  Fe  Fe37  1  0.210674  0.681464  0.528162  1
  Fe  Fe38  1  0.210744  0.147458  0.559161  1
  Fe  Fe39  1  0.795479  0.638538  0.558283  1
  Fe  Fe40  1  0.795052  0.105572  0.589710  1
  Fe  Fe41  1  0.709932  0.803795  0.636077  1
  Fe  Fe42  1  0.709460  0.337465  0.605908  1
  Fe  Fe43  1  0.301372  0.310846  0.640358  1
  Fe  Fe44  1  0.295675  0.846423  0.605775  1
  Fe  Fe45  1  0.211935  0.612395  0.589722  1
  Fe  Fe46  1  0.208096  0.079274  0.621877  1
  Fe  Fe47  1  0.791982  0.570031  0.620647  1
  Fe  Fe48  1  0.788035  0.035628  0.653320  1
  Fe  Fe49  1  0.719999  0.733346  0.695000  1
  Fe  Fe50  1  0.705458  0.273208  0.666597  1
  Fe  Fe51  1  0.281378  0.239652  0.695656  1
  Fe  Fe52  1  0.298826  0.777298  0.666231  1
  Fe  Fe53  1  0.204830  0.546579  0.651608  1
  Fe  Fe54  1  0.219089  0.009856  0.682754  1
  Fe  Fe55  1  0.794930  0.504454  0.680035  1
  Fe  Fe56  1  0.797791  0.959061  0.710488  1
  P  P57  1  0.069270  0.049723  0.317685  1
  P  P58  1  0.084405  0.577572  0.283628  1
  P  P59  1  0.933052  0.759984  0.330554  1
  P  P60  1  0.918793  0.297353  0.296508  1
  P  P61  1  0.580428  0.066948  0.281955  1
  P  P62  1  0.581719  0.517059  0.311242  1
  P  P63  1  0.417072  0.807056  0.296732  1
  P  P64  1  0.431735  0.277393  0.333023  1
  P  P65  1  0.080022  0.971920  0.379501  1
  P  P66  1  0.075255  0.509182  0.348544  1
  P  P67  1  0.922787  0.688070  0.393530  1
  P  P68  1  0.926347  0.223959  0.363514  1
  P  P69  1  0.576641  0.987557  0.346791  1
  P  P70  1  0.583270  0.459076  0.378423  1
  P  P71  1  0.427064  0.741025  0.363541  1
  P  P72  1  0.425386  0.206629  0.395514  1
  P  P73  1  0.079523  0.904248  0.442070  1
  P  P74  1  0.081542  0.439305  0.411138  1
  P  P75  1  0.927735  0.621266  0.456896  1
  P  P76  1  0.926294  0.153924  0.425441  1
  P  P77  1  0.579864  0.920941  0.409601  1
  P  P78  1  0.578528  0.386813  0.441252  1
  P  P79  1  0.426527  0.670593  0.426154  1
  P  P80  1  0.425906  0.136408  0.457796  1
  P  P81  1  0.080304  0.836079  0.504683  1
  P  P82  1  0.079850  0.369895  0.473650  1
  P  P83  1  0.926018  0.552311  0.519045  1
  P  P84  1  0.925564  0.086127  0.488012  1
  P  P85  1  0.579803  0.853371  0.472258  1
  P  P86  1  0.580358  0.318209  0.503471  1
  P  P87  1  0.425510  0.603998  0.489225  1
  P  P88  1  0.426064  0.068835  0.520438  1
  P  P89  1  0.079574  0.768282  0.567255  1
  P  P90  1  0.078133  0.300940  0.535799  1
  P  P91  1  0.924326  0.482902  0.581558  1
  P  P92  1  0.926345  0.017959  0.550626  1
  P  P93  1  0.579962  0.785799  0.534900  1
  P  P94  1  0.579340  0.251613  0.566541  1
  P  P95  1  0.427340  0.535394  0.551443  1
  P  P96  1  0.426004  1.001265  0.583095  1
  P  P97  1  0.079520  0.698248  0.629182  1
  P  P98  1  0.083081  0.234136  0.599166  1
  P  P99  1  0.930613  0.413025  0.644151  1
  P  P100  1  0.925846  0.950286  0.613194  1
  P  P101  1  0.580482  0.715577  0.597182  1
  P  P102  1  0.578804  0.181181  0.629154  1
  P  P103  1  0.422598  0.463130  0.614273  1
  P  P104  1  0.429227  0.934649  0.645904  1
  P  P105  1  0.087075  0.624854  0.696187  1
  P  P106  1  0.072816  0.162222  0.662142  1
  P  P107  1  0.921463  0.344634  0.709067  1
  P  P108  1  0.936598  0.872484  0.675010  1
  P  P109  1  0.574133  0.644813  0.659672  1
  P  P110  1  0.588796  0.115150  0.695964  1
  P  P111  1  0.424149  0.405148  0.681454  1
  P  P112  1  0.425440  0.855258  0.710741  1
