# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72160010
_cell_length_b   10.61691218
_cell_length_c   48.31548143
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.92574701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe120 P60'
_cell_volume   4473.83890006
_cell_formula_units_Z   60
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  0.499660  0.468489  0.290617  1
  Fe  Fe2  1  -0.000340  0.968489  0.290617  1
  Fe  Fe3  1  0.050028  0.298323  0.300413  1
  Fe  Fe4  1  0.550028  0.798323  0.300413  1
  Fe  Fe5  1  0.549917  0.178831  0.300234  1
  Fe  Fe6  1  0.049917  0.678831  0.300234  1
  Fe  Fe7  1  0.747563  0.355006  0.290898  1
  Fe  Fe8  1  0.247563  0.855006  0.290898  1
  Fe  Fe9  1  0.240409  0.109634  0.290141  1
  Fe  Fe10  1  0.740409  0.609634  0.290141  1
  Fe  Fe11  1  0.196497  0.486345  0.281366  1
  Fe  Fe12  1  0.696497  0.986345  0.281366  1
  Fe  Fe13  1  0.247108  0.485139  0.332084  1
  Fe  Fe14  1  0.747108  0.985139  0.332084  1
  Fe  Fe15  1  0.788685  0.276352  0.340738  1
  Fe  Fe16  1  0.288685  0.776352  0.340738  1
  Fe  Fe17  1  0.282274  0.192769  0.339964  1
  Fe  Fe18  1  0.782274  0.692769  0.339964  1
  Fe  Fe19  1  0.500498  0.351291  0.335199  1
  Fe  Fe20  1  0.000498  0.851291  0.335199  1
  Fe  Fe21  1  0.999280  0.114541  0.334173  1
  Fe  Fe22  1  0.499280  0.614541  0.334173  1
  Fe  Fe23  1  0.956020  0.486982  0.324625  1
  Fe  Fe24  1  0.456020  0.986982  0.324625  1
  Fe  Fe25  1  0.003745  0.481207  0.381301  1
  Fe  Fe26  1  0.503745  0.981207  0.381301  1
  Fe  Fe27  1  0.551922  0.289146  0.389421  1
  Fe  Fe28  1  0.051922  0.789146  0.389421  1
  Fe  Fe29  1  0.034484  0.189779  0.386122  1
  Fe  Fe30  1  0.534484  0.689779  0.386122  1
  Fe  Fe31  1  0.255992  0.352509  0.380240  1
  Fe  Fe32  1  0.755992  0.852509  0.380240  1
  Fe  Fe33  1  0.754180  0.116215  0.379814  1
  Fe  Fe34  1  0.254180  0.616215  0.379814  1
  Fe  Fe35  1  0.702420  0.487438  0.372380  1
  Fe  Fe36  1  0.202420  0.987438  0.372380  1
  Fe  Fe37  1  0.752210  0.473866  0.425056  1
  Fe  Fe38  1  0.252210  0.973866  0.425056  1
  Fe  Fe39  1  0.306307  0.292825  0.434628  1
  Fe  Fe40  1  0.806307  0.792825  0.434628  1
  Fe  Fe41  1  0.788585  0.189469  0.431255  1
  Fe  Fe42  1  0.288585  0.689469  0.431255  1
  Fe  Fe43  1  0.007753  0.352624  0.426106  1
  Fe  Fe44  1  0.507753  0.852624  0.426106  1
  Fe  Fe45  1  0.504454  0.115819  0.425582  1
  Fe  Fe46  1  0.004454  0.615819  0.425582  1
  Fe  Fe47  1  0.456547  0.488208  0.416680  1
  Fe  Fe48  1  0.956547  0.988208  0.416680  1
  Fe  Fe49  1  0.504224  0.474064  0.470285  1
  Fe  Fe50  1  0.004224  0.974064  0.470285  1
  Fe  Fe51  1  0.058773  0.293905  0.480111  1
  Fe  Fe52  1  0.558773  0.793905  0.480111  1
  Fe  Fe53  1  0.541492  0.188854  0.477032  1
  Fe  Fe54  1  0.041492  0.688854  0.477032  1
  Fe  Fe55  1  0.760904  0.352387  0.471452  1
  Fe  Fe56  1  0.260904  0.852387  0.471452  1
  Fe  Fe57  1  0.256499  0.116172  0.470703  1
  Fe  Fe58  1  0.756499  0.616172  0.470703  1
  Fe  Fe59  1  0.208695  0.488125  0.462119  1
  Fe  Fe60  1  0.708695  0.988125  0.462119  1
  Fe  Fe61  1  0.255263  0.473709  0.515593  1
  Fe  Fe62  1  0.755263  0.973709  0.515593  1
  Fe  Fe63  1  0.810132  0.294517  0.525481  1
  Fe  Fe64  1  0.310132  0.794517  0.525481  1
  Fe  Fe65  1  0.293624  0.189132  0.522111  1
  Fe  Fe66  1  0.793624  0.689132  0.522111  1
  Fe  Fe67  1  0.513355  0.352551  0.516863  1
  Fe  Fe68  1  0.013355  0.852551  0.516863  1
  Fe  Fe69  1  0.008617  0.116763  0.516142  1
  Fe  Fe70  1  0.508617  0.616763  0.516142  1
  Fe  Fe71  1  0.960804  0.487449  0.507401  1
  Fe  Fe72  1  0.460804  0.987449  0.507401  1
  Fe  Fe73  1  0.009683  0.472280  0.560963  1
  Fe  Fe74  1  0.509683  0.972280  0.560963  1
  Fe  Fe75  1  0.561991  0.294493  0.570645  1
  Fe  Fe76  1  0.061991  0.794493  0.570645  1
  Fe  Fe77  1  0.054804  0.186340  0.569368  1
  Fe  Fe78  1  0.554804  0.686340  0.569368  1
  Fe  Fe79  1  0.264685  0.353044  0.561979  1
  Fe  Fe80  1  0.764685  0.853044  0.561979  1
  Fe  Fe81  1  0.760476  0.116577  0.561593  1
  Fe  Fe82  1  0.260476  0.616577  0.561593  1
  Fe  Fe83  1  0.711567  0.486597  0.552781  1
  Fe  Fe84  1  0.211567  0.986597  0.552781  1
  Fe  Fe85  1  0.754090  0.484122  0.605859  1
  Fe  Fe86  1  0.254090  0.984122  0.605859  1
  Fe  Fe87  1  0.291029  0.278487  0.611615  1
  Fe  Fe88  1  0.791029  0.778487  0.611615  1
  Fe  Fe89  1  0.791057  0.191372  0.612094  1
  Fe  Fe90  1  0.291057  0.691372  0.612094  1
  Fe  Fe91  1  0.014104  0.353739  0.607176  1
  Fe  Fe92  1  0.514104  0.853739  0.607176  1
  Fe  Fe93  1  0.512221  0.116227  0.606705  1
  Fe  Fe94  1  0.012221  0.616227  0.606705  1
  Fe  Fe95  1  0.463617  0.485670  0.597733  1
  Fe  Fe96  1  0.963617  0.985670  0.597733  1
  Fe  Fe97  1  0.522670  0.485266  0.653902  1
  Fe  Fe98  1  0.022670  0.985266  0.653902  1
  Fe  Fe99  1  0.065057  0.288006  0.662648  1
  Fe  Fe100  1  0.565057  0.788006  0.662648  1
  Fe  Fe101  1  0.565326  0.181711  0.662675  1
  Fe  Fe102  1  0.065326  0.681711  0.662675  1
  Fe  Fe103  1  0.762811  0.359068  0.654638  1
  Fe  Fe104  1  0.262811  0.859068  0.654638  1
  Fe  Fe105  1  0.262369  0.111354  0.654451  1
  Fe  Fe106  1  0.762369  0.611354  0.654451  1
  Fe  Fe107  1  0.210408  0.485008  0.643566  1
  Fe  Fe108  1  0.710408  0.985008  0.643566  1
  Fe  Fe109  1  0.264600  0.485015  0.694887  1
  Fe  Fe110  1  0.764600  0.985015  0.694887  1
  Fe  Fe111  1  0.804857  0.266317  0.701647  1
  Fe  Fe112  1  0.304857  0.766317  0.701647  1
  Fe  Fe113  1  0.304911  0.203643  0.701610  1
  Fe  Fe114  1  0.804911  0.703643  0.701610  1
  Fe  Fe115  1  0.516272  0.358959  0.697408  1
  Fe  Fe116  1  0.016272  0.858959  0.697408  1
  Fe  Fe117  1  0.016382  0.111225  0.697329  1
  Fe  Fe118  1  0.516382  0.611225  0.697329  1
  Fe  Fe119  1  0.974891  0.484981  0.687521  1
  Fe  Fe120  1  0.474891  0.984981  0.687521  1
  P  P121  1  0.325519  0.310164  0.297302  1
  P  P122  1  0.825519  0.810164  0.297302  1
  P  P123  1  0.832181  0.154815  0.297476  1
  P  P124  1  0.332181  0.654815  0.297476  1
  P  P125  1  0.946211  0.487246  0.273576  1
  P  P126  1  0.446211  0.987246  0.273576  1
  P  P127  1  0.069773  0.321324  0.347203  1
  P  P128  1  0.569773  0.821324  0.347203  1
  P  P129  1  0.567710  0.150314  0.347672  1
  P  P130  1  0.067710  0.650314  0.347672  1
  P  P131  1  0.702464  0.484498  0.326625  1
  P  P132  1  0.202464  0.984498  0.326625  1
  P  P133  1  0.820861  0.318981  0.391461  1
  P  P134  1  0.320861  0.818981  0.391461  1
  P  P135  1  0.319248  0.153312  0.392301  1
  P  P136  1  0.819248  0.653312  0.392301  1
  P  P137  1  0.446835  0.484173  0.369982  1
  P  P138  1  0.946835  0.984173  0.369982  1
  P  P139  1  0.574089  0.318074  0.437834  1
  P  P140  1  0.074089  0.818074  0.437834  1
  P  P141  1  0.073315  0.153391  0.437895  1
  P  P142  1  0.573315  0.653391  0.437895  1
  P  P143  1  0.200440  0.484709  0.415519  1
  P  P144  1  0.700440  0.984709  0.415519  1
  P  P145  1  0.326202  0.318545  0.483217  1
  P  P146  1  0.826202  0.818545  0.483217  1
  P  P147  1  0.825993  0.152781  0.483212  1
  P  P148  1  0.325993  0.652781  0.483212  1
  P  P149  1  0.951520  0.485402  0.460904  1
  P  P150  1  0.451520  0.985402  0.460904  1
  P  P151  1  0.077766  0.316918  0.528832  1
  P  P152  1  0.577766  0.816918  0.528832  1
  P  P153  1  0.578409  0.152396  0.528533  1
  P  P154  1  0.078409  0.652396  0.528533  1
  P  P155  1  0.703356  0.485968  0.506136  1
  P  P156  1  0.203356  0.985968  0.506136  1
  P  P157  1  0.830264  0.318501  0.574326  1
  P  P158  1  0.330264  0.818501  0.574326  1
  P  P159  1  0.332278  0.150266  0.573188  1
  P  P160  1  0.832278  0.650266  0.573188  1
  P  P161  1  0.454199  0.486785  0.551239  1
  P  P162  1  0.954199  0.986785  0.551239  1
  P  P163  1  0.575671  0.317891  0.619809  1
  P  P164  1  0.075671  0.817891  0.619809  1
  P  P165  1  0.076110  0.151858  0.619400  1
  P  P166  1  0.576110  0.651858  0.619400  1
  P  P167  1  0.208094  0.486078  0.597309  1
  P  P168  1  0.708094  0.986078  0.597309  1
  P  P169  1  0.330035  0.316416  0.662442  1
  P  P170  1  0.830035  0.816416  0.662442  1
  P  P171  1  0.830129  0.153566  0.662440  1
  P  P172  1  0.330129  0.653566  0.662440  1
  P  P173  1  0.952934  0.485337  0.641880  1
  P  P174  1  0.452934  0.985337  0.641880  1
  P  P175  1  0.074367  0.320804  0.714157  1
  P  P176  1  0.574367  0.820804  0.714157  1
  P  P177  1  0.574279  0.149094  0.714154  1
  P  P178  1  0.074279  0.649094  0.714154  1
  P  P179  1  0.721496  0.485015  0.697749  1
  P  P180  1  0.221496  0.985015  0.697749  1
