# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64418808
_cell_length_b   15.32366991
_cell_length_c   50.24928227
_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   'Fe36 P72'
_cell_volume   4346.04409625
_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  0.034027  0.721824  0.305002  1
  Fe  Fe2  1  0.006601  0.274828  0.279562  1
  Fe  Fe3  1  0.502278  0.930600  0.311998  1
  Fe  Fe4  1  0.505893  0.500780  0.293473  1
  Fe  Fe5  1  0.986579  0.597669  0.346391  1
  Fe  Fe6  1  0.005003  0.153766  0.321927  1
  Fe  Fe7  1  0.514222  0.814596  0.358550  1
  Fe  Fe8  1  0.520965  0.384648  0.334003  1
  Fe  Fe9  1  0.007748  0.442923  0.400481  1
  Fe  Fe10  1  0.008860  0.030858  0.368669  1
  Fe  Fe11  1  0.497307  0.660750  0.412730  1
  Fe  Fe12  1  0.508208  0.230233  0.386621  1
  Fe  Fe13  1  0.999891  0.319453  0.448034  1
  Fe  Fe14  1  0.005488  0.881446  0.425142  1
  Fe  Fe15  1  0.508328  0.542134  0.458619  1
  Fe  Fe16  1  0.500545  0.107632  0.432041  1
  Fe  Fe17  1  0.010743  0.191314  0.494346  1
  Fe  Fe18  1  1.003700  0.760286  0.470250  1
  Fe  Fe19  1  0.503352  0.392869  0.513177  1
  Fe  Fe20  1  0.511195  0.962718  0.488963  1
  Fe  Fe21  1  0.998505  0.046957  0.551411  1
  Fe  Fe22  1  0.009334  0.611245  0.525078  1
  Fe  Fe23  1  0.501075  0.272030  0.558608  1
  Fe  Fe24  1  0.500846  0.834400  0.535155  1
  Fe  Fe25  1  0.009795  0.924204  0.596648  1
  Fe  Fe26  1  0.994840  0.491710  0.570806  1
  Fe  Fe27  1  0.504884  0.122367  0.615069  1
  Fe  Fe28  1  0.510446  0.710759  0.582505  1
  Fe  Fe29  1  0.021061  0.773513  0.649315  1
  Fe  Fe30  1  1.004236  0.338539  0.625659  1
  Fe  Fe31  1  0.502726  0.997687  0.661402  1
  Fe  Fe32  1  0.493698  0.556269  0.637016  1
  Fe  Fe33  1  0.976130  0.647675  0.690687  1
  Fe  Fe34  1  0.998911  0.221505  0.672666  1
  Fe  Fe35  1  0.499676  0.872411  0.703111  1
  Fe  Fe36  1  0.506258  0.439207  0.683222  1
  P  P37  1  0.762359  0.950538  0.274045  1
  P  P38  1  0.767069  0.388867  0.293455  1
  P  P39  1  0.247141  0.050272  0.295581  1
  P  P40  1  0.208604  0.486463  0.321692  1
  P  P41  1  0.745271  0.167421  0.282467  1
  P  P42  1  0.739109  0.614191  0.306317  1
  P  P43  1  0.280350  0.827387  0.284578  1
  P  P44  1  0.289317  0.270851  0.309701  1
  P  P45  1  0.787581  0.824510  0.323838  1
  P  P46  1  0.772692  0.260938  0.347773  1
  P  P47  1  0.239497  0.921635  0.347197  1
  P  P48  1  0.246654  0.351263  0.371760  1
  P  P49  1  0.737646  0.042128  0.334350  1
  P  P50  1  0.741763  0.477640  0.361190  1
  P  P51  1  0.298018  0.699115  0.336901  1
  P  P52  1  0.279225  0.137622  0.358569  1
  P  P53  1  0.768789  0.691895  0.374716  1
  P  P54  1  0.779712  0.121990  0.397231  1
  P  P55  1  0.244716  0.784798  0.397019  1
  P  P56  1  0.231543  0.217554  0.421984  1
  P  P57  1  0.748123  0.909997  0.385974  1
  P  P58  1  0.733732  0.337886  0.410518  1
  P  P59  1  0.262432  0.565054  0.384897  1
  P  P60  1  0.265983  0.000486  0.408985  1
  P  P61  1  0.777549  0.552969  0.423307  1
  P  P62  1  0.766538  0.990378  0.448630  1
  P  P63  1  0.230453  0.651198  0.447803  1
  P  P64  1  0.246040  0.082511  0.471956  1
  P  P65  1  0.729266  0.771838  0.435491  1
  P  P66  1  0.733068  0.204150  0.460137  1
  P  P67  1  0.275989  0.432404  0.435730  1
  P  P68  1  0.278347  0.869980  0.460289  1
  P  P69  1  0.768048  0.421785  0.474029  1
  P  P70  1  0.776136  0.853033  0.498694  1
  P  P71  1  0.244387  0.514751  0.497423  1
  P  P72  1  0.232853  0.950550  0.523079  1
  P  P73  1  0.744819  0.638469  0.486167  1
  P  P74  1  0.745098  0.072052  0.511358  1
  P  P75  1  0.275129  0.300605  0.484831  1
  P  P76  1  0.268663  0.731651  0.509334  1
  P  P77  1  0.777053  0.283659  0.523272  1
  P  P78  1  0.777010  0.720682  0.547747  1
  P  P79  1  0.228180  0.381482  0.548234  1
  P  P80  1  0.234671  0.816952  0.572292  1
  P  P81  1  0.730669  0.501811  0.535619  1
  P  P82  1  0.731061  0.937194  0.561189  1
  P  P83  1  0.264521  0.163578  0.534962  1
  P  P84  1  0.278618  0.599746  0.560205  1
  P  P85  1  0.762514  0.153568  0.574760  1
  P  P86  1  0.762242  0.586458  0.598714  1
  P  P87  1  0.242484  0.243609  0.598089  1
  P  P88  1  0.239446  0.679111  0.621129  1
  P  P89  1  0.740034  0.368383  0.586629  1
  P  P90  1  0.747239  0.804499  0.610807  1
  P  P91  1  0.278288  0.032279  0.586277  1
  P  P92  1  0.259387  0.461011  0.609413  1
  P  P93  1  0.778720  0.016055  0.624995  1
  P  P94  1  0.769929  0.448671  0.648024  1
  P  P95  1  0.234014  0.110969  0.649654  1
  P  P96  1  0.221148  0.545868  0.671877  1
  P  P97  1  0.730240  0.231317  0.637140  1
  P  P98  1  0.709163  0.670818  0.659116  1
  P  P99  1  0.273258  0.892514  0.635459  1
  P  P100  1  0.271264  0.329587  0.660447  1
  P  P101  1  0.789278  0.881718  0.673914  1
  P  P102  1  0.756617  0.318735  0.699728  1
  P  P103  1  0.243909  0.981374  0.700787  1
  P  P104  1  0.244967  0.415937  0.721026  1
  P  P105  1  0.742685  0.099263  0.688278  1
  P  P106  1  0.728662  0.540590  0.711005  1
  P  P107  1  0.265944  0.757281  0.689702  1
  P  P108  1  0.251647  0.198384  0.710417  1
