# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75270747
_cell_length_b   8.70564097
_cell_length_c   45.90567200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04511219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe144 P72'
_cell_volume   5496.10691385
_cell_formula_units_Z   72
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  0.098087  0.055860  0.298265  1
  Fe  Fe2  1  0.598087  0.055860  0.298265  1
  Fe  Fe3  1  0.822284  0.332701  0.312984  1
  Fe  Fe4  1  0.322284  0.332701  0.312984  1
  Fe  Fe5  1  0.041679  0.559318  0.312050  1
  Fe  Fe6  1  0.541679  0.559318  0.312050  1
  Fe  Fe7  1  0.152116  0.338466  0.291527  1
  Fe  Fe8  1  0.652116  0.338466  0.291527  1
  Fe  Fe9  1  0.251970  0.884962  0.279615  1
  Fe  Fe10  1  0.751970  0.884962  0.279615  1
  Fe  Fe11  1  0.908499  0.079831  0.288933  1
  Fe  Fe12  1  0.408499  0.079831  0.288933  1
  Fe  Fe13  1  0.189722  0.800633  0.331659  1
  Fe  Fe14  1  0.689722  0.800633  0.331659  1
  Fe  Fe15  1  0.941091  0.096372  0.343230  1
  Fe  Fe16  1  0.441091  0.096372  0.343230  1
  Fe  Fe17  1  0.131606  0.296066  0.345108  1
  Fe  Fe18  1  0.631606  0.296066  0.345108  1
  Fe  Fe19  1  0.250290  0.087316  0.326458  1
  Fe  Fe20  1  0.750290  0.087316  0.326458  1
  Fe  Fe21  1  0.353066  0.634758  0.313303  1
  Fe  Fe22  1  0.853066  0.634758  0.313303  1
  Fe  Fe23  1  0.009424  0.839386  0.325216  1
  Fe  Fe24  1  0.509424  0.839386  0.325216  1
  Fe  Fe25  1  0.293039  0.539046  0.367149  1
  Fe  Fe26  1  0.793039  0.539046  0.367149  1
  Fe  Fe27  1  0.040617  0.843280  0.380835  1
  Fe  Fe28  1  0.540617  0.843280  0.380835  1
  Fe  Fe29  1  0.224511  0.036681  0.384121  1
  Fe  Fe30  1  0.724511  0.036681  0.384121  1
  Fe  Fe31  1  0.351795  0.839182  0.364913  1
  Fe  Fe32  1  0.851795  0.839182  0.364913  1
  Fe  Fe33  1  0.451487  0.387517  0.351775  1
  Fe  Fe34  1  0.951487  0.387517  0.351775  1
  Fe  Fe35  1  0.109369  0.586597  0.361921  1
  Fe  Fe36  1  0.609369  0.586597  0.361921  1
  Fe  Fe37  1  0.395456  0.307350  0.407482  1
  Fe  Fe38  1  0.895456  0.307350  0.407482  1
  Fe  Fe39  1  0.139590  0.595891  0.417911  1
  Fe  Fe40  1  0.639590  0.595891  0.417911  1
  Fe  Fe41  1  0.325666  0.795504  0.421341  1
  Fe  Fe42  1  0.825666  0.795504  0.421341  1
  Fe  Fe43  1  0.451894  0.590569  0.401806  1
  Fe  Fe44  1  0.951894  0.590569  0.401806  1
  Fe  Fe45  1  0.548903  0.140132  0.389372  1
  Fe  Fe46  1  0.048903  0.140132  0.389372  1
  Fe  Fe47  1  0.208779  0.337236  0.398963  1
  Fe  Fe48  1  0.708779  0.337236  0.398963  1
  Fe  Fe49  1  0.493998  0.057781  0.444091  1
  Fe  Fe50  1  0.993998  0.057781  0.444091  1
  Fe  Fe51  1  0.238705  0.347351  0.454825  1
  Fe  Fe52  1  0.738705  0.347351  0.454825  1
  Fe  Fe53  1  0.424478  0.542245  0.457249  1
  Fe  Fe54  1  0.924478  0.542245  0.457249  1
  Fe  Fe55  1  0.551565  0.342571  0.438515  1
  Fe  Fe56  1  0.051565  0.342571  0.438515  1
  Fe  Fe57  1  0.649198  0.890235  0.426609  1
  Fe  Fe58  1  0.149198  0.890235  0.426609  1
  Fe  Fe59  1  0.308606  0.087078  0.435798  1
  Fe  Fe60  1  0.808606  0.087078  0.435798  1
  Fe  Fe61  1  0.594953  0.809804  0.481112  1
  Fe  Fe62  1  0.094953  0.809804  0.481112  1
  Fe  Fe63  1  0.337886  0.098727  0.491638  1
  Fe  Fe64  1  0.837886  0.098727  0.491638  1
  Fe  Fe65  1  0.523795  0.292544  0.494251  1
  Fe  Fe66  1  0.023795  0.292544  0.494251  1
  Fe  Fe67  1  0.649981  0.094162  0.475486  1
  Fe  Fe68  1  0.149981  0.094162  0.475486  1
  Fe  Fe69  1  0.748673  0.642108  0.463611  1
  Fe  Fe70  1  0.248673  0.642108  0.463611  1
  Fe  Fe71  1  0.408665  0.838580  0.472664  1
  Fe  Fe72  1  0.908665  0.838580  0.472664  1
  Fe  Fe73  1  0.694259  0.561896  0.518303  1
  Fe  Fe74  1  0.194259  0.561896  0.518303  1
  Fe  Fe75  1  0.430772  0.851566  0.531545  1
  Fe  Fe76  1  0.930772  0.851566  0.531545  1
  Fe  Fe77  1  0.621584  0.044320  0.531343  1
  Fe  Fe78  1  0.121584  0.044320  0.531343  1
  Fe  Fe79  1  0.749736  0.843339  0.512598  1
  Fe  Fe80  1  0.249736  0.843339  0.512598  1
  Fe  Fe81  1  0.847663  0.393903  0.500496  1
  Fe  Fe82  1  0.347663  0.393903  0.500496  1
  Fe  Fe83  1  0.508233  0.590254  0.509603  1
  Fe  Fe84  1  0.008233  0.590254  0.509603  1
  Fe  Fe85  1  0.793470  0.312511  0.555094  1
  Fe  Fe86  1  0.293470  0.312511  0.555094  1
  Fe  Fe87  1  0.537955  0.598105  0.565719  1
  Fe  Fe88  1  0.037955  0.598105  0.565719  1
  Fe  Fe89  1  0.731844  0.802943  0.567857  1
  Fe  Fe90  1  0.231844  0.802943  0.567857  1
  Fe  Fe91  1  0.849644  0.593894  0.549491  1
  Fe  Fe92  1  0.349644  0.593894  0.549491  1
  Fe  Fe93  1  0.947641  0.144116  0.537469  1
  Fe  Fe94  1  0.447641  0.144116  0.537469  1
  Fe  Fe95  1  0.607541  0.340564  0.546514  1
  Fe  Fe96  1  0.107541  0.340564  0.546514  1
  Fe  Fe97  1  0.893568  0.040309  0.586752  1
  Fe  Fe98  1  0.393568  0.040309  0.586752  1
  Fe  Fe99  1  0.638721  0.350632  0.601539  1
  Fe  Fe100  1  0.138721  0.350632  0.601539  1
  Fe  Fe101  1  0.822795  0.540695  0.605603  1
  Fe  Fe102  1  0.322795  0.540695  0.605603  1
  Fe  Fe103  1  0.948556  0.344223  0.586254  1
  Fe  Fe104  1  0.448556  0.344223  0.586254  1
  Fe  Fe105  1  0.048189  0.894164  0.574527  1
  Fe  Fe106  1  0.548189  0.894164  0.574527  1
  Fe  Fe107  1  0.707581  0.090851  0.583395  1
  Fe  Fe108  1  0.207581  0.090851  0.583395  1
  Fe  Fe109  1  0.992859  0.812770  0.629312  1
  Fe  Fe110  1  0.492859  0.812770  0.629312  1
  Fe  Fe111  1  0.724224  0.099795  0.645169  1
  Fe  Fe112  1  0.224224  0.099795  0.645169  1
  Fe  Fe113  1  0.926857  0.312433  0.644976  1
  Fe  Fe114  1  0.426857  0.312433  0.644976  1
  Fe  Fe115  1  0.048569  0.094635  0.623372  1
  Fe  Fe116  1  0.548569  0.094635  0.623372  1
  Fe  Fe117  1  0.146723  0.647485  0.611016  1
  Fe  Fe118  1  0.646723  0.647485  0.611016  1
  Fe  Fe119  1  0.805997  0.842352  0.620736  1
  Fe  Fe120  1  0.305997  0.842352  0.620736  1
  Fe  Fe121  1  0.086478  0.561431  0.666948  1
  Fe  Fe122  1  0.586478  0.561431  0.666948  1
  Fe  Fe123  1  0.827294  0.850566  0.677703  1
  Fe  Fe124  1  0.327294  0.850566  0.677703  1
  Fe  Fe125  1  0.035630  0.065967  0.678698  1
  Fe  Fe126  1  0.535630  0.065967  0.678698  1
  Fe  Fe127  1  0.149044  0.848063  0.660871  1
  Fe  Fe128  1  0.649044  0.848063  0.660871  1
  Fe  Fe129  1  0.252913  0.394596  0.649861  1
  Fe  Fe130  1  0.752913  0.394596  0.649861  1
  Fe  Fe131  1  0.903725  0.586231  0.658774  1
  Fe  Fe132  1  0.403725  0.586231  0.658774  1
  Fe  Fe133  1  0.181218  0.296763  0.696060  1
  Fe  Fe134  1  0.681218  0.296763  0.696060  1
  Fe  Fe135  1  0.936274  0.620101  0.712230  1
  Fe  Fe136  1  0.436274  0.620101  0.712230  1
  Fe  Fe137  1  0.113944  0.793593  0.713691  1
  Fe  Fe138  1  0.613944  0.793593  0.713691  1
  Fe  Fe139  1  0.243693  0.609440  0.697238  1
  Fe  Fe140  1  0.743693  0.609440  0.697238  1
  Fe  Fe141  1  0.352288  0.151146  0.684399  1
  Fe  Fe142  1  0.852288  0.151146  0.684399  1
  Fe  Fe143  1  0.002249  0.342243  0.693648  1
  Fe  Fe144  1  0.502249  0.342243  0.693648  1
  P  P145  1  0.995842  0.286930  0.306281  1
  P  P146  1  0.495842  0.286930  0.306281  1
  P  P147  1  0.096252  0.783313  0.283269  1
  P  P148  1  0.596252  0.783313  0.283269  1
  P  P149  1  0.250183  0.159208  0.274113  1
  P  P150  1  0.750183  0.159208  0.274113  1
  P  P151  1  0.103586  0.027248  0.347686  1
  P  P152  1  0.603586  0.027248  0.347686  1
  P  P153  1  0.206035  0.527942  0.322165  1
  P  P154  1  0.706035  0.527942  0.322165  1
  P  P155  1  0.351105  0.893531  0.317416  1
  P  P156  1  0.851105  0.893531  0.317416  1
  P  P157  1  0.205340  0.769740  0.383442  1
  P  P158  1  0.705340  0.769740  0.383442  1
  P  P159  1  0.303445  0.266284  0.360978  1
  P  P160  1  0.803445  0.266284  0.360978  1
  P  P161  1  0.450540  0.645898  0.354321  1
  P  P162  1  0.950540  0.645898  0.354321  1
  P  P163  1  0.303619  0.523950  0.420726  1
  P  P164  1  0.803619  0.523950  0.420726  1
  P  P165  1  0.404110  0.022180  0.396603  1
  P  P166  1  0.904110  0.022180  0.396603  1
  P  P167  1  0.552634  0.396524  0.390417  1
  P  P168  1  0.052634  0.396524  0.390417  1
  P  P169  1  0.402578  0.274390  0.458258  1
  P  P170  1  0.902578  0.274390  0.458258  1
  P  P171  1  0.503943  0.773869  0.433588  1
  P  P172  1  0.003943  0.773869  0.433588  1
  P  P173  1  0.652071  0.148280  0.427534  1
  P  P174  1  0.152071  0.148280  0.427534  1
  P  P175  1  0.501117  0.023358  0.495410  1
  P  P176  1  0.001117  0.023358  0.495410  1
  P  P177  1  0.602798  0.525135  0.470639  1
  P  P178  1  0.102798  0.525135  0.470639  1
  P  P179  1  0.751695  0.900250  0.464917  1
  P  P180  1  0.251695  0.900250  0.464917  1
  P  P181  1  0.600637  0.776335  0.532447  1
  P  P182  1  0.100637  0.776335  0.532447  1
  P  P183  1  0.701769  0.276673  0.507539  1
  P  P184  1  0.201769  0.276673  0.507539  1
  P  P185  1  0.852538  0.651389  0.501565  1
  P  P186  1  0.352538  0.651389  0.501565  1
  P  P187  1  0.702037  0.528352  0.569419  1
  P  P188  1  0.202037  0.528352  0.569419  1
  P  P189  1  0.799626  0.028929  0.543709  1
  P  P190  1  0.299626  0.028929  0.543709  1
  P  P191  1  0.951375  0.401481  0.538377  1
  P  P192  1  0.451375  0.401481  0.538377  1
  P  P193  1  0.802311  0.270620  0.606399  1
  P  P194  1  0.302311  0.270620  0.606399  1
  P  P195  1  0.901700  0.771348  0.582123  1
  P  P196  1  0.401700  0.771348  0.582123  1
  P  P197  1  0.050923  0.153243  0.575923  1
  P  P198  1  0.550923  0.153243  0.575923  1
  P  P199  1  0.899397  0.028441  0.641942  1
  P  P200  1  0.399397  0.028441  0.641942  1
  P  P201  1  0.002319  0.529662  0.618359  1
  P  P202  1  0.502319  0.529662  0.618359  1
  P  P203  1  0.151290  0.903477  0.612477  1
  P  P204  1  0.651290  0.903477  0.612477  1
  P  P205  1  0.996450  0.785994  0.680040  1
  P  P206  1  0.496450  0.785994  0.680040  1
  P  P207  1  0.103731  0.282859  0.652907  1
  P  P208  1  0.603731  0.282859  0.652907  1
  P  P209  1  0.249026  0.648788  0.648932  1
  P  P210  1  0.749026  0.648788  0.648932  1
  P  P211  1  0.103441  0.508596  0.720657  1
  P  P212  1  0.603441  0.508596  0.720657  1
  P  P213  1  0.204940  0.025316  0.698183  1
  P  P214  1  0.704940  0.025316  0.698183  1
  P  P215  1  0.344413  0.399277  0.696030  1
  P  P216  1  0.844413  0.399277  0.696030  1
