# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14059014
_cell_length_b   9.14059014
_cell_length_c   48.73205815
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe120 P40'
_cell_volume   4071.58236871
_cell_formula_units_Z   40
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  0.644301  0.966224  0.357821  1
  Fe  Fe2  1  0.466775  0.855882  0.315099  1
  Fe  Fe3  1  0.542045  0.152938  0.315099  1
  Fe  Fe4  1  0.364518  0.042596  0.357821  1
  Fe  Fe5  1  0.338514  0.301312  0.290796  1
  Fe  Fe6  1  0.785356  0.169015  0.289847  1
  Fe  Fe7  1  0.223463  0.839804  0.289847  1
  Fe  Fe8  1  0.670305  0.707507  0.290796  1
  Fe  Fe9  1  0.581845  0.605131  0.334303  1
  Fe  Fe10  1  0.107725  0.929638  0.337822  1
  Fe  Fe11  1  0.901094  0.079181  0.337822  1
  Fe  Fe12  1  0.426975  0.403688  0.334303  1
  Fe  Fe13  1  0.147550  0.459479  0.311999  1
  Fe  Fe14  1  0.926926  0.388250  0.272409  1
  Fe  Fe15  1  0.081893  0.620570  0.272409  1
  Fe  Fe16  1  0.861269  0.549340  0.311999  1
  Fe  Fe17  1  0.837827  0.790255  0.337623  1
  Fe  Fe18  1  0.288486  0.668129  0.335512  1
  Fe  Fe19  1  0.720333  0.340691  0.335512  1
  Fe  Fe20  1  0.170992  0.218564  0.337623  1
  Fe  Fe21  1  0.076588  0.120059  0.289661  1
  Fe  Fe22  1  0.616388  0.429236  0.291707  1
  Fe  Fe23  1  0.392431  0.579583  0.291707  1
  Fe  Fe24  1  0.932231  0.888761  0.289661  1
  Fe  Fe25  1  0.644853  0.966088  0.449623  1
  Fe  Fe26  1  0.466298  0.864405  0.405240  1
  Fe  Fe27  1  0.542521  0.144415  0.405240  1
  Fe  Fe28  1  0.363967  0.042732  0.449623  1
  Fe  Fe29  1  0.340578  0.286860  0.382701  1
  Fe  Fe30  1  0.786896  0.166510  0.381085  1
  Fe  Fe31  1  0.221923  0.842310  0.381085  1
  Fe  Fe32  1  0.668242  0.721959  0.382701  1
  Fe  Fe33  1  0.581795  0.605653  0.425700  1
  Fe  Fe34  1  0.105568  0.927129  0.429185  1
  Fe  Fe35  1  0.903252  0.081690  0.429185  1
  Fe  Fe36  1  0.427024  0.403166  0.425700  1
  Fe  Fe37  1  0.144630  0.466230  0.404211  1
  Fe  Fe38  1  0.966832  0.364523  0.360077  1
  Fe  Fe39  1  0.041987  0.644297  0.360077  1
  Fe  Fe40  1  0.864189  0.542589  0.404211  1
  Fe  Fe41  1  0.840391  0.787540  0.428185  1
  Fe  Fe42  1  0.287343  0.668428  0.426646  1
  Fe  Fe43  1  0.721476  0.340391  0.426646  1
  Fe  Fe44  1  0.168428  0.221279  0.428185  1
  Fe  Fe45  1  0.083018  0.104511  0.380230  1
  Fe  Fe46  1  0.605462  0.427033  0.383703  1
  Fe  Fe47  1  0.403357  0.581787  0.383703  1
  Fe  Fe48  1  0.925802  0.904308  0.380230  1
  Fe  Fe49  1  0.644829  0.966232  0.540535  1
  Fe  Fe50  1  0.466133  0.863978  0.496155  1
  Fe  Fe51  1  0.542686  0.144841  0.496155  1
  Fe  Fe52  1  0.363990  0.042587  0.540535  1
  Fe  Fe53  1  0.340464  0.287367  0.473658  1
  Fe  Fe54  1  0.787364  0.168316  0.472084  1
  Fe  Fe55  1  0.221455  0.840504  0.472084  1
  Fe  Fe56  1  0.668355  0.721452  0.473658  1
  Fe  Fe57  1  0.581759  0.605583  0.516566  1
  Fe  Fe58  1  0.105554  0.926978  0.520054  1
  Fe  Fe59  1  0.903266  0.081841  0.520054  1
  Fe  Fe60  1  0.427060  0.403237  0.516566  1
  Fe  Fe61  1  0.144841  0.466133  0.495019  1
  Fe  Fe62  1  0.966232  0.363990  0.450639  1
  Fe  Fe63  1  0.042587  0.644829  0.450639  1
  Fe  Fe64  1  0.863978  0.542686  0.495019  1
  Fe  Fe65  1  0.840504  0.787364  0.519090  1
  Fe  Fe66  1  0.287367  0.668355  0.517516  1
  Fe  Fe67  1  0.721452  0.340464  0.517516  1
  Fe  Fe68  1  0.168316  0.221455  0.519090  1
  Fe  Fe69  1  0.081841  0.105554  0.471120  1
  Fe  Fe70  1  0.605583  0.427060  0.474608  1
  Fe  Fe71  1  0.403237  0.581759  0.474608  1
  Fe  Fe72  1  0.926978  0.903266  0.471120  1
  Fe  Fe73  1  0.644297  0.966832  0.631097  1
  Fe  Fe74  1  0.466230  0.864189  0.586963  1
  Fe  Fe75  1  0.542589  0.144630  0.586963  1
  Fe  Fe76  1  0.364523  0.041987  0.631097  1
  Fe  Fe77  1  0.340391  0.287343  0.564528  1
  Fe  Fe78  1  0.787540  0.168428  0.562989  1
  Fe  Fe79  1  0.221279  0.840391  0.562989  1
  Fe  Fe80  1  0.668428  0.721476  0.564528  1
  Fe  Fe81  1  0.581787  0.605462  0.607471  1
  Fe  Fe82  1  0.104511  0.925802  0.610944  1
  Fe  Fe83  1  0.904308  0.083018  0.610944  1
  Fe  Fe84  1  0.427033  0.403357  0.607471  1
  Fe  Fe85  1  0.144415  0.466298  0.585934  1
  Fe  Fe86  1  0.966088  0.363967  0.541551  1
  Fe  Fe87  1  0.042732  0.644853  0.541551  1
  Fe  Fe88  1  0.864405  0.542521  0.585934  1
  Fe  Fe89  1  0.842310  0.786896  0.610089  1
  Fe  Fe90  1  0.286860  0.668242  0.608473  1
  Fe  Fe91  1  0.721959  0.340578  0.608473  1
  Fe  Fe92  1  0.166510  0.221923  0.610089  1
  Fe  Fe93  1  0.081690  0.105568  0.561989  1
  Fe  Fe94  1  0.605653  0.427024  0.565474  1
  Fe  Fe95  1  0.403166  0.581795  0.565474  1
  Fe  Fe96  1  0.927129  0.903252  0.561989  1
  Fe  Fe97  1  0.620570  0.926926  0.718765  1
  Fe  Fe98  1  0.459479  0.861269  0.679175  1
  Fe  Fe99  1  0.549340  0.147550  0.679175  1
  Fe  Fe100  1  0.388250  0.081893  0.718765  1
  Fe  Fe101  1  0.340691  0.288486  0.655662  1
  Fe  Fe102  1  0.790255  0.170992  0.653551  1
  Fe  Fe103  1  0.218564  0.837827  0.653551  1
  Fe  Fe104  1  0.668129  0.720333  0.655662  1
  Fe  Fe105  1  0.579583  0.616388  0.699467  1
  Fe  Fe106  1  0.120059  0.932231  0.701513  1
  Fe  Fe107  1  0.888761  0.076588  0.701513  1
  Fe  Fe108  1  0.429236  0.392431  0.699467  1
  Fe  Fe109  1  0.152938  0.466775  0.676075  1
  Fe  Fe110  1  0.966224  0.364518  0.633353  1
  Fe  Fe111  1  0.042596  0.644301  0.633353  1
  Fe  Fe112  1  0.855882  0.542045  0.676075  1
  Fe  Fe113  1  0.839804  0.785356  0.701327  1
  Fe  Fe114  1  0.301312  0.670305  0.700378  1
  Fe  Fe115  1  0.707507  0.338514  0.700378  1
  Fe  Fe116  1  0.169015  0.223463  0.701327  1
  Fe  Fe117  1  0.079181  0.107725  0.653352  1
  Fe  Fe118  1  0.605131  0.426975  0.656871  1
  Fe  Fe119  1  0.403688  0.581845  0.656871  1
  Fe  Fe120  1  0.929638  0.901094  0.653352  1
  P  P121  1  0.297204  0.055105  0.311559  1
  P  P122  1  0.551474  0.202109  0.268044  1
  P  P123  1  0.457346  0.806710  0.268044  1
  P  P124  1  0.711615  0.953714  0.311559  1
  P  P125  1  0.796082  0.553097  0.359100  1
  P  P126  1  0.054766  0.713239  0.315737  1
  P  P127  1  0.954054  0.295580  0.315737  1
  P  P128  1  0.212737  0.455722  0.359100  1
  P  P129  1  0.296800  0.053227  0.404389  1
  P  P130  1  0.553693  0.213549  0.359673  1
  P  P131  1  0.455126  0.795271  0.359673  1
  P  P132  1  0.712019  0.955593  0.404389  1
  P  P133  1  0.796202  0.553400  0.449830  1
  P  P134  1  0.053801  0.713627  0.404923  1
  P  P135  1  0.955019  0.295192  0.404923  1
  P  P136  1  0.212617  0.455419  0.449830  1
  P  P137  1  0.296232  0.053340  0.495339  1
  P  P138  1  0.553413  0.212721  0.450454  1
  P  P139  1  0.455407  0.796098  0.450454  1
  P  P140  1  0.712588  0.955479  0.495339  1
  P  P141  1  0.796098  0.553413  0.540721  1
  P  P142  1  0.053340  0.712588  0.495835  1
  P  P143  1  0.955479  0.296232  0.495835  1
  P  P144  1  0.212721  0.455407  0.540721  1
  P  P145  1  0.295192  0.053801  0.586251  1
  P  P146  1  0.553400  0.212617  0.541344  1
  P  P147  1  0.455419  0.796202  0.541344  1
  P  P148  1  0.713627  0.955019  0.586251  1
  P  P149  1  0.795271  0.553693  0.631501  1
  P  P150  1  0.053227  0.712019  0.586785  1
  P  P151  1  0.955593  0.296800  0.586785  1
  P  P152  1  0.213549  0.455126  0.631501  1
  P  P153  1  0.295580  0.054766  0.675437  1
  P  P154  1  0.553097  0.212737  0.632074  1
  P  P155  1  0.455722  0.796082  0.632074  1
  P  P156  1  0.713239  0.954054  0.675437  1
  P  P157  1  0.806710  0.551474  0.723130  1
  P  P158  1  0.055105  0.711615  0.679615  1
  P  P159  1  0.953714  0.297204  0.679615  1
  P  P160  1  0.202109  0.457346  0.723130  1
