# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91777107
_cell_length_b   14.95990448
_cell_length_c   49.18312167
_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   4354.14683981
_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  0.006784  0.235018  0.280045  1
  Fe  Fe2  1  0.039338  0.667754  0.304357  1
  Fe  Fe3  1  0.485486  0.886078  0.316074  1
  Fe  Fe4  1  0.494033  0.455751  0.294502  1
  Fe  Fe5  1  0.006255  0.105720  0.323444  1
  Fe  Fe6  1  0.996189  0.542033  0.347222  1
  Fe  Fe7  1  0.519839  0.759169  0.358974  1
  Fe  Fe8  1  0.520144  0.320043  0.337607  1
  Fe  Fe9  1  0.994530  0.977137  0.370209  1
  Fe  Fe10  1  0.009203  0.383699  0.403101  1
  Fe  Fe11  1  0.496740  0.599709  0.414008  1
  Fe  Fe12  1  0.506071  0.188197  0.383791  1
  Fe  Fe13  1  0.014998  0.816224  0.426358  1
  Fe  Fe14  1  0.004368  0.251931  0.449348  1
  Fe  Fe15  1  0.511725  0.472922  0.459945  1
  Fe  Fe16  1  0.499767  0.030997  0.438505  1
  Fe  Fe17  1  0.995885  0.689239  0.471945  1
  Fe  Fe18  1  1.003783  0.120487  0.495943  1
  Fe  Fe19  1  0.503519  0.315034  0.514743  1
  Fe  Fe20  1  0.512151  0.905028  0.484377  1
  Fe  Fe21  1  0.013862  0.529721  0.526983  1
  Fe  Fe22  1  1.002995  0.962090  0.551598  1
  Fe  Fe23  1  0.501526  0.187107  0.560110  1
  Fe  Fe24  1  0.493945  0.746335  0.539144  1
  Fe  Fe25  1  0.992604  0.402032  0.572449  1
  Fe  Fe26  1  1.000761  0.834260  0.596711  1
  Fe  Fe27  1  0.507148  0.029548  0.615809  1
  Fe  Fe28  1  0.510740  0.619374  0.584896  1
  Fe  Fe29  1  0.015447  0.242255  0.628153  1
  Fe  Fe30  1  0.010844  0.677255  0.651309  1
  Fe  Fe31  1  0.499032  0.898439  0.662114  1
  Fe  Fe32  1  0.488523  0.460194  0.639527  1
  Fe  Fe33  1  0.995710  0.116527  0.673917  1
  Fe  Fe34  1  0.966642  0.549407  0.694189  1
  Fe  Fe35  1  0.515673  0.761769  0.704604  1
  Fe  Fe36  1  0.524821  0.333867  0.682162  1
  P  P37  1  0.680053  0.744199  0.314228  1
  P  P38  1  0.651273  0.313619  0.289361  1
  P  P39  1  0.346918  0.038327  0.304518  1
  P  P40  1  0.354422  0.602409  0.281438  1
  P  P41  1  0.180403  0.820094  0.292118  1
  P  P42  1  0.159427  0.259584  0.319897  1
  P  P43  1  0.846074  0.101507  0.276781  1
  P  P44  1  0.857243  0.523073  0.302006  1
  P  P45  1  0.663946  0.607502  0.366707  1
  P  P46  1  0.658248  0.173256  0.340238  1
  P  P47  1  0.340206  0.902663  0.357465  1
  P  P48  1  0.348219  0.469151  0.335267  1
  P  P49  1  0.172855  0.686365  0.346072  1
  P  P50  1  0.163468  0.116540  0.368379  1
  P  P51  1  0.843988  0.957951  0.326739  1
  P  P52  1  0.851361  0.390558  0.355532  1
  P  P53  1  0.667774  0.459126  0.416412  1
  P  P54  1  0.660454  0.035656  0.391342  1
  P  P55  1  0.351497  0.753370  0.406423  1
  P  P56  1  0.344958  0.327705  0.382735  1
  P  P57  1  0.158281  0.538777  0.394743  1
  P  P58  1  0.160644  0.969328  0.418214  1
  P  P59  1  0.850307  0.822991  0.379291  1
  P  P60  1  0.843782  0.243882  0.404280  1
  P  P61  1  0.659178  0.320097  0.467226  1
  P  P62  1  0.667444  0.889395  0.440703  1
  P  P63  1  0.342721  0.615730  0.457915  1
  P  P64  1  0.348868  0.182631  0.431255  1
  P  P65  1  0.165753  0.399595  0.445715  1
  P  P66  1  0.166459  0.831554  0.470031  1
  P  P67  1  0.841936  0.674452  0.428442  1
  P  P68  1  0.843555  0.104251  0.453186  1
  P  P69  1  0.667154  0.174105  0.516535  1
  P  P70  1  0.659912  0.752303  0.492077  1
  P  P71  1  0.350984  0.468225  0.507111  1
  P  P72  1  0.340267  0.045640  0.482031  1
  P  P73  1  0.166690  0.259269  0.494350  1
  P  P74  1  0.160353  0.683087  0.519063  1
  P  P75  1  0.849085  0.536109  0.479923  1
  P  P76  1  0.847516  0.966462  0.504737  1
  P  P77  1  0.659532  0.036268  0.567717  1
  P  P78  1  0.667269  0.604116  0.541037  1
  P  P79  1  0.340844  0.328983  0.558309  1
  P  P80  1  0.348167  0.899678  0.531558  1
  P  P81  1  0.159047  0.113472  0.543838  1
  P  P82  1  0.166503  0.544560  0.570459  1
  P  P83  1  0.842279  0.387828  0.529072  1
  P  P84  1  0.841441  0.819325  0.553238  1
  P  P85  1  0.665279  0.891176  0.616926  1
  P  P86  1  0.656538  0.465731  0.592144  1
  P  P87  1  0.347032  0.181733  0.607321  1
  P  P88  1  0.341936  0.760658  0.582786  1
  P  P89  1  0.167559  0.975596  0.594964  1
  P  P90  1  0.157557  0.395843  0.619351  1
  P  P91  1  0.847987  0.247917  0.580417  1
  P  P92  1  0.850400  0.680489  0.603996  1
  P  P93  1  0.659566  0.748552  0.663681  1
  P  P94  1  0.667068  0.316369  0.640719  1
  P  P95  1  0.344198  0.043673  0.658910  1
  P  P96  1  0.343478  0.611766  0.631990  1
  P  P97  1  0.154829  0.829849  0.644050  1
  P  P98  1  0.163893  0.261947  0.671933  1
  P  P99  1  0.842546  0.101605  0.630658  1
  P  P100  1  0.835496  0.532453  0.652399  1
  P  P101  1  0.656380  0.615690  0.717682  1
  P  P102  1  0.656550  0.181525  0.693946  1
  P  P103  1  0.350337  0.897826  0.708820  1
  P  P104  1  0.328223  0.474603  0.684352  1
  P  P105  1  0.152781  0.691835  0.696506  1
  P  P106  1  0.146141  0.108292  0.719262  1
  P  P107  1  0.846903  0.962136  0.681681  1
  P  P108  1  0.826395  0.398492  0.706610  1
