# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19899378
_cell_length_b   10.18056913
_cell_length_c   51.66626102
_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   'Fe144 P48'
_cell_volume   4838.59660427
_cell_formula_units_Z   48
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  0.962980  0.119564  0.317710  1
  Fe  Fe2  1  0.860378  0.361557  0.341459  1
  Fe  Fe3  1  0.146766  0.116831  0.272724  1
  Fe  Fe4  1  0.052110  0.346909  0.294202  1
  Fe  Fe5  1  0.286726  0.422794  0.314688  1
  Fe  Fe6  1  0.142629  0.865254  0.270930  1
  Fe  Fe7  1  0.832614  0.508486  0.301996  1
  Fe  Fe8  1  0.717602  0.154036  0.338410  1
  Fe  Fe9  1  0.590819  0.126531  0.292619  1
  Fe  Fe10  1  0.925133  0.709103  0.334824  1
  Fe  Fe11  1  0.076039  0.872016  0.318041  1
  Fe  Fe12  1  0.377790  0.254446  0.281918  1
  Fe  Fe13  1  0.462980  0.619564  0.317710  1
  Fe  Fe14  1  0.360378  0.861557  0.341459  1
  Fe  Fe15  1  0.646766  0.616831  0.272724  1
  Fe  Fe16  1  0.552110  0.846909  0.294202  1
  Fe  Fe17  1  0.786726  0.922794  0.314688  1
  Fe  Fe18  1  0.642629  0.365254  0.270930  1
  Fe  Fe19  1  0.332614  0.008486  0.301996  1
  Fe  Fe20  1  0.217602  0.654036  0.338410  1
  Fe  Fe21  1  0.090819  0.626531  0.292619  1
  Fe  Fe22  1  0.425133  0.209103  0.334824  1
  Fe  Fe23  1  0.576039  0.372016  0.318041  1
  Fe  Fe24  1  0.877790  0.754446  0.281918  1
  Fe  Fe25  1  0.963990  0.310937  0.393883  1
  Fe  Fe26  1  0.861720  0.549560  0.419353  1
  Fe  Fe27  1  0.140490  0.303772  0.348696  1
  Fe  Fe28  1  0.038679  0.538312  0.372191  1
  Fe  Fe29  1  0.283216  0.607371  0.390516  1
  Fe  Fe30  1  0.164744  0.049479  0.346609  1
  Fe  Fe31  1  0.837268  0.700006  0.380537  1
  Fe  Fe32  1  0.719113  0.339399  0.415830  1
  Fe  Fe33  1  0.602512  0.312565  0.368026  1
  Fe  Fe34  1  0.924626  0.893180  0.411781  1
  Fe  Fe35  1  0.079136  0.057187  0.396346  1
  Fe  Fe36  1  0.401231  0.439407  0.356906  1
  Fe  Fe37  1  0.463990  0.810937  0.393883  1
  Fe  Fe38  1  0.361720  0.049560  0.419353  1
  Fe  Fe39  1  0.640490  0.803772  0.348696  1
  Fe  Fe40  1  0.538679  0.038312  0.372191  1
  Fe  Fe41  1  0.783216  0.107371  0.390516  1
  Fe  Fe42  1  0.664744  0.549479  0.346609  1
  Fe  Fe43  1  0.337268  0.200006  0.380537  1
  Fe  Fe44  1  0.219113  0.839399  0.415830  1
  Fe  Fe45  1  0.102512  0.812565  0.368026  1
  Fe  Fe46  1  0.424626  0.393180  0.411781  1
  Fe  Fe47  1  0.579136  0.557187  0.396346  1
  Fe  Fe48  1  0.901231  0.939407  0.356906  1
  Fe  Fe49  1  0.964369  0.495868  0.470687  1
  Fe  Fe50  1  0.861631  0.735182  0.496268  1
  Fe  Fe51  1  0.141432  0.488758  0.425100  1
  Fe  Fe52  1  0.039212  0.723927  0.449060  1
  Fe  Fe53  1  0.283963  0.792719  0.467472  1
  Fe  Fe54  1  0.166524  0.240341  0.423764  1
  Fe  Fe55  1  0.837088  0.885651  0.457172  1
  Fe  Fe56  1  0.719521  0.524399  0.492823  1
  Fe  Fe57  1  0.602341  0.498043  0.445595  1
  Fe  Fe58  1  0.924291  0.078656  0.488725  1
  Fe  Fe59  1  0.079011  0.242553  0.473221  1
  Fe  Fe60  1  0.400905  0.623882  0.433684  1
  Fe  Fe61  1  0.464369  0.995868  0.470687  1
  Fe  Fe62  1  0.361631  0.235182  0.496268  1
  Fe  Fe63  1  0.641432  0.988758  0.425100  1
  Fe  Fe64  1  0.539212  0.223927  0.449060  1
  Fe  Fe65  1  0.783963  0.292719  0.467472  1
  Fe  Fe66  1  0.666524  0.740341  0.423764  1
  Fe  Fe67  1  0.337088  0.385651  0.457172  1
  Fe  Fe68  1  0.219521  0.024399  0.492823  1
  Fe  Fe69  1  0.102341  0.998043  0.445595  1
  Fe  Fe70  1  0.424291  0.578656  0.488725  1
  Fe  Fe71  1  0.579011  0.742553  0.473221  1
  Fe  Fe72  1  0.900905  0.123882  0.433684  1
  Fe  Fe73  1  0.964372  0.681247  0.547642  1
  Fe  Fe74  1  0.861641  0.920731  0.573234  1
  Fe  Fe75  1  0.141766  0.674091  0.502008  1
  Fe  Fe76  1  0.039067  0.909349  0.526026  1
  Fe  Fe77  1  0.284077  0.977995  0.544367  1
  Fe  Fe78  1  0.166453  0.425762  0.500632  1
  Fe  Fe79  1  0.836928  0.071005  0.534115  1
  Fe  Fe80  1  0.719646  0.709894  0.569719  1
  Fe  Fe81  1  0.602299  0.683361  0.522503  1
  Fe  Fe82  1  0.924299  0.263805  0.565539  1
  Fe  Fe83  1  0.079002  0.428011  0.550175  1
  Fe  Fe84  1  0.401075  0.809277  0.510577  1
  Fe  Fe85  1  0.464372  0.181247  0.547642  1
  Fe  Fe86  1  0.361641  0.420731  0.573234  1
  Fe  Fe87  1  0.641766  0.174091  0.502008  1
  Fe  Fe88  1  0.539067  0.409349  0.526026  1
  Fe  Fe89  1  0.784077  0.477995  0.544367  1
  Fe  Fe90  1  0.666453  0.925762  0.500632  1
  Fe  Fe91  1  0.336928  0.571005  0.534115  1
  Fe  Fe92  1  0.219646  0.209894  0.569719  1
  Fe  Fe93  1  0.102299  0.183361  0.522503  1
  Fe  Fe94  1  0.424299  0.763805  0.565539  1
  Fe  Fe95  1  0.579002  0.928011  0.550175  1
  Fe  Fe96  1  0.901075  0.309277  0.510577  1
  Fe  Fe97  1  0.964318  0.866667  0.624457  1
  Fe  Fe98  1  0.863707  0.103847  0.649805  1
  Fe  Fe99  1  0.141452  0.859265  0.578911  1
  Fe  Fe100  1  0.039672  0.094282  0.602890  1
  Fe  Fe101  1  0.285186  0.163046  0.621876  1
  Fe  Fe102  1  0.166518  0.611194  0.577590  1
  Fe  Fe103  1  0.837371  0.256727  0.610832  1
  Fe  Fe104  1  0.720695  0.892820  0.647492  1
  Fe  Fe105  1  0.602828  0.868811  0.599550  1
  Fe  Fe106  1  0.925048  0.451494  0.642700  1
  Fe  Fe107  1  0.079542  0.613270  0.627030  1
  Fe  Fe108  1  0.401413  0.994679  0.587448  1
  Fe  Fe109  1  0.464318  0.366667  0.624457  1
  Fe  Fe110  1  0.363707  0.603847  0.649805  1
  Fe  Fe111  1  0.641452  0.359265  0.578911  1
  Fe  Fe112  1  0.539672  0.594282  0.602890  1
  Fe  Fe113  1  0.785186  0.663046  0.621876  1
  Fe  Fe114  1  0.666518  0.111194  0.577590  1
  Fe  Fe115  1  0.337371  0.756727  0.610832  1
  Fe  Fe116  1  0.220695  0.392820  0.647492  1
  Fe  Fe117  1  0.102828  0.368811  0.599550  1
  Fe  Fe118  1  0.425048  0.951494  0.642700  1
  Fe  Fe119  1  0.579542  0.113270  0.627030  1
  Fe  Fe120  1  0.901413  0.494679  0.587448  1
  Fe  Fe121  1  0.962233  0.053069  0.702228  1
  Fe  Fe122  1  0.854759  0.289812  0.725318  1
  Fe  Fe123  1  0.144211  0.047364  0.656615  1
  Fe  Fe124  1  0.042250  0.284070  0.678837  1
  Fe  Fe125  1  0.287884  0.348833  0.698917  1
  Fe  Fe126  1  0.166250  0.798567  0.654062  1
  Fe  Fe127  1  0.841983  0.445364  0.687201  1
  Fe  Fe128  1  0.716690  0.084269  0.722403  1
  Fe  Fe129  1  0.601640  0.051725  0.677022  1
  Fe  Fe130  1  0.931819  0.624899  0.717877  1
  Fe  Fe131  1  0.081425  0.799637  0.703719  1
  Fe  Fe132  1  0.399028  0.178258  0.665415  1
  Fe  Fe133  1  0.462233  0.553069  0.702228  1
  Fe  Fe134  1  0.354759  0.789812  0.725318  1
  Fe  Fe135  1  0.644211  0.547364  0.656615  1
  Fe  Fe136  1  0.542250  0.784070  0.678837  1
  Fe  Fe137  1  0.787884  0.848833  0.698917  1
  Fe  Fe138  1  0.666250  0.298567  0.654062  1
  Fe  Fe139  1  0.341983  0.945364  0.687201  1
  Fe  Fe140  1  0.216690  0.584269  0.722403  1
  Fe  Fe141  1  0.101640  0.551725  0.677022  1
  Fe  Fe142  1  0.431819  0.124899  0.717877  1
  Fe  Fe143  1  0.581425  0.299637  0.703719  1
  Fe  Fe144  1  0.899028  0.678258  0.665415  1
  P  P145  1  0.047360  0.499966  0.328763  1
  P  P146  1  0.207569  0.196262  0.312558  1
  P  P147  1  0.796955  0.277444  0.300368  1
  P  P148  1  0.938110  0.982137  0.281619  1
  P  P149  1  0.547360  0.999966  0.328763  1
  P  P150  1  0.707569  0.696262  0.312558  1
  P  P151  1  0.296955  0.777444  0.300368  1
  P  P152  1  0.438110  0.482137  0.281619  1
  P  P153  1  0.050688  0.687646  0.405465  1
  P  P154  1  0.210192  0.386266  0.387409  1
  P  P155  1  0.792982  0.465256  0.379618  1
  P  P156  1  0.952149  0.163392  0.361057  1
  P  P157  1  0.550688  0.187646  0.405465  1
  P  P158  1  0.710192  0.886266  0.387409  1
  P  P159  1  0.292982  0.965256  0.379618  1
  P  P160  1  0.452149  0.663392  0.361057  1
  P  P161  1  0.050365  0.872733  0.482513  1
  P  P162  1  0.209957  0.571635  0.464201  1
  P  P163  1  0.793390  0.650958  0.456761  1
  P  P164  1  0.952782  0.347895  0.437709  1
  P  P165  1  0.550365  0.372733  0.482513  1
  P  P166  1  0.709957  0.071635  0.464201  1
  P  P167  1  0.293390  0.150958  0.456761  1
  P  P168  1  0.452782  0.847895  0.437709  1
  P  P169  1  0.050495  0.058195  0.559427  1
  P  P170  1  0.209825  0.757012  0.541132  1
  P  P171  1  0.793282  0.836349  0.533686  1
  P  P172  1  0.953043  0.533437  0.514603  1
  P  P173  1  0.550495  0.558195  0.559427  1
  P  P174  1  0.709825  0.257012  0.541132  1
  P  P175  1  0.293282  0.336349  0.533686  1
  P  P176  1  0.453043  0.033437  0.514603  1
  P  P177  1  0.051284  0.243093  0.636014  1
  P  P178  1  0.210491  0.942813  0.617949  1
  P  P179  1  0.792953  0.021405  0.610750  1
  P  P180  1  0.952177  0.718605  0.591639  1
  P  P181  1  0.551284  0.743093  0.636014  1
  P  P182  1  0.710491  0.442813  0.617949  1
  P  P183  1  0.292953  0.521405  0.610750  1
  P  P184  1  0.452177  0.218605  0.591639  1
  P  P185  1  0.056866  0.420011  0.715714  1
  P  P186  1  0.206143  0.127632  0.697978  1
  P  P187  1  0.794830  0.208344  0.685952  1
  P  P188  1  0.954865  0.904354  0.668317  1
  P  P189  1  0.556866  0.920011  0.715714  1
  P  P190  1  0.706143  0.627632  0.697978  1
  P  P191  1  0.294830  0.708344  0.685952  1
  P  P192  1  0.454865  0.404354  0.668317  1
