# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65318740
_cell_length_b   18.93871052
_cell_length_c   48.70439074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe42 P84'
_cell_volume   5214.49077395
_cell_formula_units_Z   42
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  0.014479  0.388024  0.303811  1
  Fe  Fe2  1  0.989968  0.758526  0.286584  1
  Fe  Fe3  1  0.011119  0.039279  0.321740  1
  Fe  Fe4  1  0.502933  0.573323  0.295756  1
  Fe  Fe5  1  0.509970  0.866474  0.333072  1
  Fe  Fe6  1  0.467037  0.217164  0.313783  1
  Fe  Fe7  1  0.992603  0.341865  0.357650  1
  Fe  Fe8  1  0.991124  0.698499  0.337813  1
  Fe  Fe9  1  0.004274  0.988253  0.381155  1
  Fe  Fe10  1  0.513707  0.519713  0.350213  1
  Fe  Fe11  1  0.496727  0.811098  0.392200  1
  Fe  Fe12  1  0.507671  0.164264  0.370836  1
  Fe  Fe13  1  0.994629  0.281572  0.425612  1
  Fe  Fe14  1  0.999376  0.632152  0.405209  1
  Fe  Fe15  1  0.998287  0.936447  0.440172  1
  Fe  Fe16  1  0.495624  0.461900  0.408808  1
  Fe  Fe17  1  0.507055  0.759276  0.450887  1
  Fe  Fe18  1  0.502992  0.110462  0.429326  1
  Fe  Fe19  1  0.008544  0.225788  0.482432  1
  Fe  Fe20  1  1.001751  0.579574  0.462198  1
  Fe  Fe21  1  0.009531  0.866331  0.509159  1
  Fe  Fe22  1  0.507799  0.399323  0.478887  1
  Fe  Fe23  1  0.497012  0.689335  0.520310  1
  Fe  Fe24  1  0.503859  0.045635  0.498905  1
  Fe  Fe25  1  0.998474  0.162663  0.552916  1
  Fe  Fe26  1  1.001398  0.513082  0.532255  1
  Fe  Fe27  1  1.000780  0.816398  0.566590  1
  Fe  Fe28  1  0.498458  0.342325  0.535200  1
  Fe  Fe29  1  0.507514  0.638838  0.577815  1
  Fe  Fe30  1  0.502904  0.992896  0.555665  1
  Fe  Fe31  1  0.009467  0.105216  0.611222  1
  Fe  Fe32  1  1.002412  0.458411  0.590418  1
  Fe  Fe33  1  0.019374  0.748423  0.634814  1
  Fe  Fe34  1  0.507326  0.280820  0.604393  1
  Fe  Fe35  1  0.491416  0.570558  0.645445  1
  Fe  Fe36  1  0.500424  0.927315  0.623785  1
  Fe  Fe37  1  1.002670  0.053020  0.670399  1
  Fe  Fe38  1  0.009961  0.402383  0.649316  1
  Fe  Fe39  1  0.996278  0.703687  0.688269  1
  Fe  Fe40  1  0.509574  0.228121  0.661622  1
  Fe  Fe41  1  0.489349  0.510758  0.695945  1
  Fe  Fe42  1  0.545932  0.874489  0.678862  1
  P  P43  1  0.768448  0.492130  0.308639  1
  P  P44  1  0.765423  0.854737  0.290979  1
  P  P45  1  0.771400  0.146216  0.331258  1
  P  P46  1  0.215905  0.592048  0.325319  1
  P  P47  1  0.254178  0.944227  0.303812  1
  P  P48  1  0.223069  0.295220  0.283270  1
  P  P49  1  0.740437  0.670837  0.297943  1
  P  P50  1  0.759619  0.030416  0.281368  1
  P  P51  1  0.720159  0.317375  0.319859  1
  P  P52  1  0.279282  0.416716  0.335461  1
  P  P53  1  0.294480  0.767322  0.314845  1
  P  P54  1  0.263106  0.121013  0.293572  1
  P  P55  1  0.770648  0.441480  0.373459  1
  P  P56  1  0.771109  0.793219  0.355208  1
  P  P57  1  0.777706  0.090755  0.394247  1
  P  P58  1  0.229668  0.536246  0.387429  1
  P  P59  1  0.230731  0.886126  0.367039  1
  P  P60  1  0.220744  0.238405  0.348245  1
  P  P61  1  0.736660  0.619710  0.364173  1
  P  P62  1  0.738541  0.968755  0.343609  1
  P  P63  1  0.730956  0.267773  0.384962  1
  P  P64  1  0.257384  0.359481  0.398107  1
  P  P65  1  0.263603  0.709444  0.377570  1
  P  P66  1  0.276716  0.062010  0.356687  1
  P  P67  1  0.761317  0.384855  0.437296  1
  P  P68  1  0.772718  0.735571  0.416212  1
  P  P69  1  0.763284  0.032728  0.457749  1
  P  P70  1  0.240720  0.476144  0.450726  1
  P  P71  1  0.229418  0.831901  0.429585  1
  P  P72  1  0.231164  0.184352  0.408879  1
  P  P73  1  0.727798  0.557692  0.426724  1
  P  P74  1  0.728572  0.913912  0.405657  1
  P  P75  1  0.729263  0.205955  0.447606  1
  P  P76  1  0.275149  0.302557  0.461011  1
  P  P77  1  0.274931  0.654824  0.440665  1
  P  P78  1  0.272943  0.008271  0.418831  1
  P  P79  1  0.776511  0.322621  0.500205  1
  P  P80  1  0.762369  0.677964  0.479313  1
  P  P81  1  0.776965  0.970331  0.519957  1
  P  P82  1  0.229633  0.418942  0.513891  1
  P  P83  1  0.243133  0.769282  0.492273  1
  P  P84  1  0.242979  0.122990  0.471308  1
  P  P85  1  0.742121  0.501606  0.490229  1
  P  P86  1  0.743345  0.855404  0.468467  1
  P  P87  1  0.743088  0.148892  0.510759  1
  P  P88  1  0.263567  0.239650  0.523775  1
  P  P89  1  0.261485  0.592534  0.503207  1
  P  P90  1  0.264778  0.946969  0.481496  1
  P  P91  1  0.763393  0.265633  0.563371  1
  P  P92  1  0.775280  0.616209  0.541937  1
  P  P93  1  0.764402  0.913728  0.582840  1
  P  P94  1  0.239468  0.356457  0.576060  1
  P  P95  1  0.230573  0.712469  0.555972  1
  P  P96  1  0.229136  0.066496  0.534590  1
  P  P97  1  0.729727  0.439427  0.553297  1
  P  P98  1  0.730100  0.792874  0.530885  1
  P  P99  1  0.732771  0.087663  0.573764  1
  P  P100  1  0.276792  0.182798  0.587150  1
  P  P101  1  0.274362  0.535584  0.566584  1
  P  P102  1  0.276858  0.889518  0.544779  1
  P  P103  1  0.781593  0.206823  0.626134  1
  P  P104  1  0.766875  0.560474  0.605257  1
  P  P105  1  0.791020  0.853588  0.644132  1
  P  P106  1  0.238410  0.301620  0.639184  1
  P  P107  1  0.244453  0.650913  0.618786  1
  P  P108  1  0.240316  0.003622  0.597168  1
  P  P109  1  0.733733  0.383596  0.615536  1
  P  P110  1  0.746072  0.736304  0.594436  1
  P  P111  1  0.737182  0.030157  0.635338  1
  P  P112  1  0.277070  0.123900  0.648850  1
  P  P113  1  0.273168  0.476883  0.627514  1
  P  P114  1  0.271867  0.827636  0.607295  1
  P  P115  1  0.761511  0.146969  0.688858  1
  P  P116  1  0.798582  0.502077  0.668160  1
  P  P117  1  0.788583  0.796555  0.709018  1
  P  P118  1  0.255556  0.237967  0.700803  1
  P  P119  1  0.243206  0.600374  0.685571  1
  P  P120  1  0.238517  0.946577  0.661588  1
  P  P121  1  0.753118  0.324802  0.678886  1
  P  P122  1  0.728795  0.674691  0.656997  1
  P  P123  1  0.749105  0.971267  0.698853  1
  P  P124  1  0.254263  0.063076  0.711050  1
  P  P125  1  0.265891  0.414415  0.691642  1
  P  P126  1  0.290587  0.774616  0.672352  1
