# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06813926
_cell_length_b   16.31070615
_cell_length_c   54.94040626
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe72 P36'
_cell_volume   2749.41120355
_cell_formula_units_Z   36
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  0.001883  0.805993  0.321480  1
  Fe  Fe2  1  0.001883  0.159346  0.288360  1
  Fe  Fe3  1  0.001883  0.458093  0.361741  1
  Fe  Fe4  1  0.001883  0.911579  0.379676  1
  Fe  Fe5  1  0.001883  0.261214  0.334457  1
  Fe  Fe6  1  0.001883  0.627616  0.302284  1
  Fe  Fe7  1  0.001883  0.015480  0.322894  1
  Fe  Fe8  1  0.001883  0.377469  0.289275  1
  Fe  Fe9  1  0.001883  0.648124  0.364960  1
  Fe  Fe10  1  0.501883  0.907792  0.301383  1
  Fe  Fe11  1  0.501883  0.200498  0.372478  1
  Fe  Fe12  1  0.501883  0.557543  0.337971  1
  Fe  Fe13  1  0.501883  0.029257  0.363852  1
  Fe  Fe14  1  0.501883  0.387162  0.326789  1
  Fe  Fe15  1  0.501883  0.742430  0.290022  1
  Fe  Fe16  1  0.501883  0.786981  0.361842  1
  Fe  Fe17  1  0.501883  0.140260  0.323362  1
  Fe  Fe18  1  0.501883  0.507337  0.286542  1
  Fe  Fe19  1  0.001883  0.746219  0.435438  1
  Fe  Fe20  1  0.001883  0.099348  0.397786  1
  Fe  Fe21  1  0.001883  0.388399  0.472133  1
  Fe  Fe22  1  0.001883  0.833140  0.485464  1
  Fe  Fe23  1  0.001883  0.189895  0.447604  1
  Fe  Fe24  1  0.001883  0.548310  0.412010  1
  Fe  Fe25  1  0.001883  0.935319  0.436075  1
  Fe  Fe26  1  0.001883  0.292683  0.399764  1
  Fe  Fe27  1  0.001883  0.576969  0.474697  1
  Fe  Fe28  1  0.501883  0.842492  0.410836  1
  Fe  Fe29  1  0.501883  0.128664  0.483956  1
  Fe  Fe30  1  0.501883  0.485704  0.447556  1
  Fe  Fe31  1  0.501883  0.957781  0.475568  1
  Fe  Fe32  1  0.501883  0.314667  0.438115  1
  Fe  Fe33  1  0.501883  0.673289  0.402104  1
  Fe  Fe34  1  0.501883  0.712522  0.472673  1
  Fe  Fe35  1  0.501883  0.071298  0.435726  1
  Fe  Fe36  1  0.501883  0.424109  0.398231  1
  Fe  Fe37  1  0.001883  0.673913  0.546555  1
  Fe  Fe38  1  0.001883  0.031000  0.509306  1
  Fe  Fe39  1  0.001883  0.316012  0.582336  1
  Fe  Fe40  1  1.001883  0.762617  0.596206  1
  Fe  Fe41  1  0.001883  0.118892  0.559153  1
  Fe  Fe42  1  0.001883  0.476471  0.522362  1
  Fe  Fe43  1  0.001883  0.862958  0.548697  1
  Fe  Fe44  1  0.001883  0.219617  0.511238  1
  Fe  Fe45  1  1.001883  0.505252  0.585700  1
  Fe  Fe46  1  0.501883  0.771622  0.521491  1
  Fe  Fe47  1  0.501883  0.056910  0.595690  1
  Fe  Fe48  1  0.501883  0.414239  0.558204  1
  Fe  Fe49  1  0.501883  0.887057  0.586767  1
  Fe  Fe50  1  0.501883  0.243292  0.549155  1
  Fe  Fe51  1  0.501883  0.600836  0.512695  1
  Fe  Fe52  1  0.501883  0.640112  0.583772  1
  Fe  Fe53  1  0.501883  0.997515  0.546596  1
  Fe  Fe54  1  0.501883  0.354169  0.509159  1
  Fe  Fe55  1  1.001883  0.588401  0.657998  1
  Fe  Fe56  1  1.001883  0.960026  0.621076  1
  Fe  Fe57  1  0.001883  0.250494  0.692685  1
  Fe  Fe58  1  1.001883  0.685015  0.704168  1
  Fe  Fe59  1  0.001883  0.051920  0.671740  1
  Fe  Fe60  1  0.001883  0.409326  0.634879  1
  Fe  Fe61  1  0.001883  0.797632  0.659751  1
  Fe  Fe62  1  0.001883  0.147723  0.622560  1
  Fe  Fe63  1  0.001883  0.439765  0.692196  1
  Fe  Fe64  1  0.501883  0.701548  0.631951  1
  Fe  Fe65  1  0.501883  0.990699  0.707053  1
  Fe  Fe66  1  0.501883  0.342476  0.669180  1
  Fe  Fe67  1  0.501883  0.810076  0.698988  1
  Fe  Fe68  1  0.501883  0.174188  0.660958  1
  Fe  Fe69  1  0.501883  0.529056  0.622173  1
  Fe  Fe70  1  0.501883  0.564930  0.697263  1
  Fe  Fe71  1  0.501883  0.927809  0.658558  1
  Fe  Fe72  1  0.501883  0.283343  0.619701  1
  P  P73  1  0.501883  0.909843  0.342632  1
  P  P74  1  0.501883  0.269641  0.300636  1
  P  P75  1  0.501883  0.551291  0.379797  1
  P  P76  1  0.501883  0.043764  0.288999  1
  P  P77  1  0.501883  0.335958  0.365068  1
  P  P78  1  0.501883  0.694017  0.331228  1
  P  P79  1  0.001883  0.844080  0.276546  1
  P  P80  1  0.001883  0.123783  0.353628  1
  P  P81  1  0.001883  0.485192  0.318008  1
  P  P82  1  0.501883  0.839165  0.452948  1
  P  P83  1  0.501883  0.195296  0.414821  1
  P  P84  1  0.501883  0.480550  0.489906  1
  P  P85  1  0.501883  0.983936  0.404106  1
  P  P86  1  0.501883  0.265806  0.476989  1
  P  P87  1  0.501883  0.623615  0.440838  1
  P  P88  1  0.001883  0.766941  0.390858  1
  P  P89  1  0.001883  0.051204  0.464881  1
  P  P90  1  0.001883  0.409304  0.427987  1
  P  P91  1  0.501883  0.766452  0.563910  1
  P  P92  1  0.501883  0.123180  0.526511  1
  P  P93  1  0.501883  0.407619  0.600712  1
  P  P94  1  0.501883  0.908920  0.514557  1
  P  P95  1  0.501883  0.193652  0.588142  1
  P  P96  1  0.501883  0.551677  0.551541  1
  P  P97  1  0.001883  0.694890  0.502179  1
  P  P98  1  0.001883  0.980879  0.576221  1
  P  P99  1  0.001883  0.337769  0.538621  1
  P  P100  1  0.501883  0.692510  0.672543  1
  P  P101  1  0.501883  0.053264  0.638513  1
  P  P102  1  0.501883  0.341823  0.712831  1
  P  P103  1  0.501883  0.838916  0.625588  1
  P  P104  1  0.501883  0.130747  0.700323  1
  P  P105  1  0.501883  0.480222  0.660930  1
  P  P106  1  0.001883  0.624615  0.613571  1
  P  P107  1  0.001883  0.910342  0.688123  1
  P  P108  1  0.001883  0.267161  0.648722  1
