# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92265953
_cell_length_b   17.29731270
_cell_length_c   47.60803106
_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   4877.25682505
_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  0.016052  0.509015  0.314115  1
  Fe  Fe2  1  0.017299  0.182525  0.292722  1
  Fe  Fe3  1  0.966389  0.875435  0.273565  1
  Fe  Fe4  1  0.540722  0.375435  0.273565  1
  Fe  Fe5  1  0.491059  0.009015  0.314115  1
  Fe  Fe6  1  0.489811  0.682525  0.292722  1
  Fe  Fe7  1  0.004443  0.479099  0.376826  1
  Fe  Fe8  1  0.003614  0.157193  0.350209  1
  Fe  Fe9  1  0.983635  0.832440  0.332566  1
  Fe  Fe10  1  0.523476  0.332440  0.332566  1
  Fe  Fe11  1  0.502667  0.979099  0.376826  1
  Fe  Fe12  1  0.503496  0.657193  0.350209  1
  Fe  Fe13  1  0.004201  0.446731  0.438932  1
  Fe  Fe14  1  0.004625  0.121154  0.423325  1
  Fe  Fe15  1  0.007663  0.799111  0.397913  1
  Fe  Fe16  1  0.499448  0.299111  0.397913  1
  Fe  Fe17  1  0.502910  0.946731  0.438932  1
  Fe  Fe18  1  0.502486  0.621154  0.423325  1
  Fe  Fe19  1  0.004606  0.405941  0.513160  1
  Fe  Fe20  1  1.001336  0.087961  0.484403  1
  Fe  Fe21  1  0.997426  0.767722  0.461014  1
  Fe  Fe22  1  0.509685  0.267722  0.461014  1
  Fe  Fe23  1  0.502505  0.905941  0.513160  1
  Fe  Fe24  1  0.505774  0.587961  0.484403  1
  Fe  Fe25  1  0.004531  0.373478  0.574242  1
  Fe  Fe26  1  1.001460  0.047086  0.558830  1
  Fe  Fe27  1  0.010758  0.725747  0.536282  1
  Fe  Fe28  1  0.496353  0.225747  0.536282  1
  Fe  Fe29  1  0.502580  0.873478  0.574242  1
  Fe  Fe30  1  0.505651  0.547086  0.558830  1
  Fe  Fe31  1  0.005454  0.336199  0.646534  1
  Fe  Fe32  1  1.002398  0.015655  0.621412  1
  Fe  Fe33  1  0.999982  0.694660  0.599249  1
  Fe  Fe34  1  0.507129  0.194660  0.599249  1
  Fe  Fe35  1  0.501656  0.836199  0.646534  1
  Fe  Fe36  1  0.504713  0.515655  0.621412  1
  Fe  Fe37  1  0.007878  0.307355  0.704500  1
  Fe  Fe38  1  0.980813  0.986725  0.684553  1
  Fe  Fe39  1  0.019471  0.663357  0.662614  1
  Fe  Fe40  1  0.487640  0.163357  0.662614  1
  Fe  Fe41  1  0.499233  0.807355  0.704500  1
  Fe  Fe42  1  0.526298  0.486725  0.684553  1
  P  P43  1  0.672765  0.262365  0.289791  1
  P  P44  1  0.622229  0.937615  0.270970  1
  P  P45  1  0.678806  0.584040  0.312711  1
  P  P46  1  0.361456  0.440863  0.306180  1
  P  P47  1  0.336626  0.110465  0.280141  1
  P  P48  1  0.334829  0.763048  0.323958  1
  P  P49  1  0.172282  0.263048  0.323958  1
  P  P50  1  0.145655  0.940863  0.306180  1
  P  P51  1  0.170485  0.610465  0.280141  1
  P  P52  1  0.884881  0.437615  0.270970  1
  P  P53  1  0.828305  0.084040  0.312711  1
  P  P54  1  0.834346  0.762365  0.289791  1
  P  P55  1  0.663857  0.230077  0.358162  1
  P  P56  1  0.649593  0.907100  0.338827  1
  P  P57  1  0.658495  0.555017  0.380853  1
  P  P58  1  0.352237  0.402806  0.371602  1
  P  P59  1  0.342132  0.082695  0.349306  1
  P  P60  1  0.348221  0.724685  0.391834  1
  P  P61  1  0.158890  0.224685  0.391834  1
  P  P62  1  0.154874  0.902806  0.371602  1
  P  P63  1  0.164979  0.582695  0.349306  1
  P  P64  1  0.857517  0.407100  0.338827  1
  P  P65  1  0.848615  0.055017  0.380853  1
  P  P66  1  0.843254  0.730077  0.358162  1
  P  P67  1  0.665925  0.196426  0.424858  1
  P  P68  1  0.662018  0.873672  0.403569  1
  P  P69  1  0.666795  0.517199  0.447894  1
  P  P70  1  0.341765  0.370171  0.437629  1
  P  P71  1  0.342176  0.049752  0.415201  1
  P  P72  1  0.342032  0.693219  0.459967  1
  P  P73  1  0.165079  0.193219  0.459967  1
  P  P74  1  0.165346  0.870171  0.437629  1
  P  P75  1  0.164935  0.549752  0.415201  1
  P  P76  1  0.845093  0.373672  0.403569  1
  P  P77  1  0.840316  0.017199  0.447894  1
  P  P78  1  0.841186  0.696426  0.424858  1
  P  P79  1  0.657986  0.163549  0.492544  1
  P  P80  1  0.661283  0.843174  0.470708  1
  P  P81  1  0.661426  0.484386  0.515398  1
  P  P82  1  0.347819  0.330260  0.504823  1
  P  P83  1  0.345633  0.009376  0.482253  1
  P  P84  1  0.347446  0.650603  0.526831  1
  P  P85  1  0.159665  0.150603  0.526831  1
  P  P86  1  0.159292  0.830260  0.504823  1
  P  P87  1  0.161478  0.509376  0.482253  1
  P  P88  1  0.845828  0.343174  0.470708  1
  P  P89  1  0.845685  0.984386  0.515398  1
  P  P90  1  0.849125  0.663549  0.492544  1
  P  P91  1  0.664325  0.123567  0.560030  1
  P  P92  1  0.665982  0.800798  0.537418  1
  P  P93  1  0.665841  0.444213  0.582707  1
  P  P94  1  0.341374  0.297554  0.572212  1
  P  P95  1  0.339307  0.976858  0.549673  1
  P  P96  1  0.346249  0.620199  0.594136  1
  P  P97  1  0.160862  0.120199  0.594136  1
  P  P98  1  0.165737  0.797554  0.572212  1
  P  P99  1  0.167803  0.476858  0.549673  1
  P  P100  1  0.841129  0.300798  0.537418  1
  P  P101  1  0.841270  0.944213  0.582707  1
  P  P102  1  0.842786  0.623567  0.560030  1
  P  P103  1  0.656710  0.090741  0.626242  1
  P  P104  1  0.658024  0.769869  0.605156  1
  P  P105  1  0.670137  0.413475  0.649011  1
  P  P106  1  0.346063  0.265784  0.638401  1
  P  P107  1  0.345317  0.939678  0.616664  1
  P  P108  1  0.352871  0.587346  0.659657  1
  P  P109  1  0.154240  0.087346  0.659657  1
  P  P110  1  0.161048  0.765784  0.638401  1
  P  P111  1  0.161794  0.439678  0.616664  1
  P  P112  1  0.849087  0.269869  0.605156  1
  P  P113  1  0.836974  0.913475  0.649011  1
  P  P114  1  0.850401  0.590741  0.626242  1
  P  P115  1  0.643904  0.060777  0.694058  1
  P  P116  1  0.671723  0.732314  0.672736  1
  P  P117  1  0.674462  0.381616  0.716818  1
  P  P118  1  0.338396  0.226737  0.706534  1
  P  P119  1  0.329290  0.909360  0.684253  1
  P  P120  1  0.372635  0.548990  0.726059  1
  P  P121  1  0.134476  0.048990  0.726059  1
  P  P122  1  0.168714  0.726737  0.706534  1
  P  P123  1  0.177821  0.409360  0.684253  1
  P  P124  1  0.835388  0.232314  0.672736  1
  P  P125  1  0.832649  0.881616  0.716818  1
  P  P126  1  0.863207  0.560777  0.694058  1
