# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.55906679
_cell_length_b   11.80918697
_cell_length_c   48.35032266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.62888132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12054.8449477
_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  0.890100  0.743721  0.355998  1
  Fe  Fe2  1  0.504799  0.159970  0.284237  1
  Fe  Fe3  1  0.202126  0.952670  0.318810  1
  Fe  Fe4  1  0.717043  0.288909  0.345070  1
  Fe  Fe5  1  0.407156  0.081063  0.383774  1
  Fe  Fe6  1  0.026535  0.499220  0.310318  1
  Fe  Fe7  1  0.702126  0.952670  0.318810  1
  Fe  Fe8  1  0.390100  0.743721  0.355998  1
  Fe  Fe9  1  0.004799  0.159970  0.284237  1
  Fe  Fe10  1  0.907156  0.081063  0.383774  1
  Fe  Fe11  1  0.526535  0.499220  0.310318  1
  Fe  Fe12  1  0.217043  0.288909  0.345070  1
  Fe  Fe13  1  0.958572  0.116760  0.466593  1
  Fe  Fe14  1  0.579602  0.534710  0.391906  1
  Fe  Fe15  1  0.268613  0.324784  0.429439  1
  Fe  Fe16  1  0.785998  0.663078  0.457653  1
  Fe  Fe17  1  0.475590  0.454692  0.494823  1
  Fe  Fe18  1  0.096668  0.872091  0.420387  1
  Fe  Fe19  1  0.768613  0.324784  0.429439  1
  Fe  Fe20  1  0.458572  0.116760  0.466593  1
  Fe  Fe21  1  0.079602  0.534710  0.391906  1
  Fe  Fe22  1  0.975590  0.454692  0.494823  1
  Fe  Fe23  1  0.596668  0.872091  0.420387  1
  Fe  Fe24  1  0.285998  0.663078  0.457653  1
  Fe  Fe25  1  0.026933  0.489553  0.578070  1
  Fe  Fe26  1  0.648011  0.906952  0.503633  1
  Fe  Fe27  1  0.337602  0.698565  0.540804  1
  Fe  Fe28  1  0.854987  0.036860  0.569018  1
  Fe  Fe29  1  0.543998  0.826934  0.606551  1
  Fe  Fe30  1  0.165028  0.244883  0.531864  1
  Fe  Fe31  1  0.837602  0.698565  0.540804  1
  Fe  Fe32  1  0.526933  0.489553  0.578070  1
  Fe  Fe33  1  0.148011  0.906952  0.503633  1
  Fe  Fe34  1  0.043998  0.826934  0.606551  1
  Fe  Fe35  1  0.665028  0.244883  0.531864  1
  Fe  Fe36  1  0.354987  0.036860  0.569018  1
  Fe  Fe37  1  0.097065  0.862424  0.688139  1
  Fe  Fe38  1  0.716445  0.280581  0.614683  1
  Fe  Fe39  1  0.406558  0.072735  0.653386  1
  Fe  Fe40  1  0.921474  0.408974  0.679647  1
  Fe  Fe41  1  0.618802  0.201674  0.714220  1
  Fe  Fe42  1  0.233500  0.617923  0.642458  1
  Fe  Fe43  1  0.906558  0.072735  0.653386  1
  Fe  Fe44  1  0.597065  0.862424  0.688139  1
  Fe  Fe45  1  0.216445  0.280581  0.614683  1
  Fe  Fe46  1  0.118802  0.201674  0.714220  1
  Fe  Fe47  1  0.733500  0.617923  0.642458  1
  Fe  Fe48  1  0.421474  0.408974  0.679647  1
  P  P49  1  0.727438  0.966280  0.362322  1
  P  P50  1  0.348606  0.383777  0.289176  1
  P  P51  1  0.038563  0.176012  0.325706  1
  P  P52  1  0.649296  0.670668  0.366915  1
  P  P53  1  0.275441  0.085790  0.293959  1
  P  P54  1  0.960424  0.879705  0.330910  1
  P  P55  1  0.726218  0.468791  0.360355  1
  P  P56  1  0.345589  0.872939  0.288050  1
  P  P57  1  0.036489  0.681573  0.322866  1
  P  P58  1  0.616787  0.470478  0.313987  1
  P  P59  1  0.306077  0.260018  0.351929  1
  P  P60  1  0.920531  0.676213  0.280585  1
  P  P61  1  0.691367  0.273218  0.301161  1
  P  P62  1  0.379827  0.062635  0.340139  1
  P  P63  1  0.070230  0.857444  0.376565  1
  P  P64  1  0.689863  0.772403  0.301574  1
  P  P65  1  0.380295  0.561854  0.341357  1
  P  P66  1  0.070255  0.354215  0.377357  1
  P  P67  1  0.771904  0.576677  0.297792  1
  P  P68  1  0.456313  0.361280  0.334349  1
  P  P69  1  0.147963  0.153301  0.370627  1
  P  P70  1  0.800258  0.771395  0.350116  1
  P  P71  1  0.490562  0.564624  0.386735  1
  P  P72  1  0.112942  0.982288  0.311272  1
  P  P73  1  0.848606  0.383777  0.289176  1
  P  P74  1  0.538563  0.176012  0.325706  1
  P  P75  1  0.227438  0.966280  0.362322  1
  P  P76  1  0.775441  0.085790  0.293959  1
  P  P77  1  0.460424  0.879705  0.330910  1
  P  P78  1  0.149296  0.670668  0.366915  1
  P  P79  1  0.845589  0.872939  0.288050  1
  P  P80  1  0.536489  0.681573  0.322866  1
  P  P81  1  0.226218  0.468791  0.360355  1
  P  P82  1  0.806077  0.260018  0.351929  1
  P  P83  1  0.420531  0.676213  0.280585  1
  P  P84  1  0.116787  0.470478  0.313987  1
  P  P85  1  0.879827  0.062635  0.340139  1
  P  P86  1  0.570230  0.857444  0.376565  1
  P  P87  1  0.191367  0.273218  0.301161  1
  P  P88  1  0.880295  0.561854  0.341357  1
  P  P89  1  0.570255  0.354215  0.377357  1
  P  P90  1  0.189863  0.772403  0.301574  1
  P  P91  1  0.647963  0.153301  0.370627  1
  P  P92  1  0.271904  0.576677  0.297792  1
  P  P93  1  0.956313  0.361280  0.334349  1
  P  P94  1  0.612942  0.982288  0.311272  1
  P  P95  1  0.300258  0.771395  0.350116  1
  P  P96  1  0.990562  0.564624  0.386735  1
  P  P97  1  0.795538  0.340100  0.473083  1
  P  P98  1  0.416935  0.758450  0.399500  1
  P  P99  1  0.105864  0.548878  0.435707  1
  P  P100  1  0.718253  0.043657  0.478982  1
  P  P101  1  0.338794  0.461538  0.404857  1
  P  P102  1  0.028864  0.253568  0.441958  1
  P  P103  1  0.795472  0.843413  0.472543  1
  P  P104  1  0.416254  0.261627  0.398363  1
  P  P105  1  0.105952  0.052291  0.435290  1
  P  P106  1  0.685582  0.841875  0.426118  1
  P  P107  1  0.375150  0.633825  0.463409  1
  P  P108  1  0.996410  0.051915  0.389392  1
  P  P109  1  0.758947  0.647253  0.413937  1
  P  P110  1  0.448929  0.439796  0.451121  1
  P  P111  1  0.138411  0.230103  0.488155  1
  P  P112  1  0.759685  0.144726  0.414641  1
  P  P113  1  0.449462  0.936248  0.452031  1
  P  P114  1  0.138721  0.726617  0.488786  1
  P  P115  1  0.836931  0.944274  0.408429  1
  P  P116  1  0.526587  0.735710  0.445226  1
  P  P117  1  0.215549  0.525979  0.482117  1
  P  P118  1  0.869403  0.146127  0.461061  1
  P  P119  1  0.558971  0.936748  0.498085  1
  P  P120  1  0.179623  0.354223  0.423433  1
  P  P121  1  0.916935  0.758450  0.399500  1
  P  P122  1  0.605864  0.548878  0.435707  1
  P  P123  1  0.295538  0.340100  0.473083  1
  P  P124  1  0.838794  0.461538  0.404857  1
  P  P125  1  0.528864  0.253568  0.441958  1
  P  P126  1  0.218253  0.043657  0.478982  1
  P  P127  1  0.916254  0.261627  0.398363  1
  P  P128  1  0.605952  0.052291  0.435290  1
  P  P129  1  0.295472  0.843413  0.472543  1
  P  P130  1  0.875150  0.633825  0.463409  1
  P  P131  1  0.496410  0.051915  0.389392  1
  P  P132  1  0.185582  0.841875  0.426118  1
  P  P133  1  0.948929  0.439796  0.451121  1
  P  P134  1  0.638411  0.230103  0.488155  1
  P  P135  1  0.258947  0.647253  0.413937  1
  P  P136  1  0.949462  0.936248  0.452031  1
  P  P137  1  0.638721  0.726617  0.488786  1
  P  P138  1  0.259685  0.144726  0.414641  1
  P  P139  1  0.715549  0.525979  0.482117  1
  P  P140  1  0.336931  0.944274  0.408429  1
  P  P141  1  0.026587  0.735710  0.445226  1
  P  P142  1  0.679623  0.354223  0.423433  1
  P  P143  1  0.369403  0.146127  0.461061  1
  P  P144  1  0.058971  0.936748  0.498085  1
  P  P145  1  0.864654  0.714391  0.584520  1
  P  P146  1  0.485190  0.131541  0.510302  1
  P  P147  1  0.174672  0.921848  0.547335  1
  P  P148  1  0.786670  0.417369  0.590027  1
  P  P149  1  0.408052  0.835665  0.516339  1
  P  P150  1  0.097014  0.625934  0.553231  1
  P  P151  1  0.863916  0.216918  0.583816  1
  P  P152  1  0.484880  0.635027  0.509671  1
  P  P153  1  0.174138  0.425395  0.546425  1
  P  P154  1  0.754198  0.215517  0.537396  1
  P  P155  1  0.443978  0.007420  0.575024  1
  P  P156  1  0.064630  0.424896  0.500371  1
  P  P157  1  0.828062  0.021544  0.525373  1
  P  P158  1  0.517737  0.812765  0.562750  1
  P  P159  1  0.206665  0.603194  0.598956  1
  P  P160  1  0.828129  0.518231  0.525913  1
  P  P161  1  0.517648  0.309353  0.563166  1
  P  P162  1  0.207347  0.100017  0.600094  1
  P  P163  1  0.905348  0.317986  0.519474  1
  P  P164  1  0.594736  0.108076  0.556499  1
  P  P165  1  0.284807  0.900105  0.593599  1
  P  P166  1  0.938019  0.519769  0.572338  1
  P  P167  1  0.627191  0.309729  0.609064  1
  P  P168  1  0.248451  0.727819  0.535047  1
  P  P169  1  0.985190  0.131541  0.510302  1
  P  P170  1  0.674672  0.921848  0.547335  1
  P  P171  1  0.364654  0.714391  0.584520  1
  P  P172  1  0.908052  0.835665  0.516339  1
  P  P173  1  0.597014  0.625934  0.553231  1
  P  P174  1  0.286670  0.417369  0.590027  1
  P  P175  1  0.984880  0.635027  0.509671  1
  P  P176  1  0.674138  0.425395  0.546425  1
  P  P177  1  0.363916  0.216918  0.583816  1
  P  P178  1  0.943978  0.007420  0.575024  1
  P  P179  1  0.564630  0.424896  0.500371  1
  P  P180  1  0.254198  0.215517  0.537396  1
  P  P181  1  0.017737  0.812765  0.562750  1
  P  P182  1  0.706665  0.603194  0.598956  1
  P  P183  1  0.328062  0.021544  0.525373  1
  P  P184  1  0.017648  0.309353  0.563166  1
  P  P185  1  0.707347  0.100017  0.600094  1
  P  P186  1  0.328129  0.518231  0.525913  1
  P  P187  1  0.784807  0.900105  0.593599  1
  P  P188  1  0.405348  0.317986  0.519474  1
  P  P189  1  0.094736  0.108076  0.556499  1
  P  P190  1  0.748451  0.727819  0.535047  1
  P  P191  1  0.438019  0.519769  0.572338  1
  P  P192  1  0.127191  0.309729  0.609064  1
  P  P193  1  0.932234  0.088426  0.697295  1
  P  P194  1  0.553371  0.504199  0.621892  1
  P  P195  1  0.243774  0.299009  0.658318  1
  P  P196  1  0.851696  0.784966  0.700665  1
  P  P197  1  0.475638  0.208343  0.627829  1
  P  P198  1  0.167288  1.000364  0.664108  1
  P  P199  1  0.933738  0.589240  0.696883  1
  P  P200  1  0.553345  0.007429  0.621099  1
  P  P201  1  0.243306  0.799790  0.657100  1
  P  P202  1  0.823343  0.590249  0.648340  1
  P  P203  1  0.510658  0.379356  0.687184  1
  P  P204  1  0.133038  0.797020  0.611722  1
  P  P205  1  0.896162  0.395364  0.636134  1
  P  P206  1  0.585038  0.185632  0.672751  1
  P  P207  1  0.274995  0.977867  0.709281  1
  P  P208  1  0.897383  0.892852  0.638102  1
  P  P209  1  0.587112  0.680070  0.675591  1
  P  P210  1  0.278011  0.488705  0.710407  1
  P  P211  1  0.974305  0.690975  0.631541  1
  P  P212  1  0.663176  0.481938  0.667547  1
  P  P213  1  0.348160  0.275854  0.704498  1
  P  P214  1  0.006813  0.891166  0.684470  1
  P  P215  1  0.703070  0.685431  0.717871  1
  P  P216  1  0.317523  0.101626  0.646528  1
  P  P217  1  0.053371  0.504199  0.621892  1
  P  P218  1  0.743774  0.299009  0.658318  1
  P  P219  1  0.432234  0.088426  0.697295  1
  P  P220  1  0.975638  0.208343  0.627829  1
  P  P221  1  0.667288  1.000364  0.664108  1
  P  P222  1  0.351696  0.784966  0.700665  1
  P  P223  1  0.053345  0.007429  0.621099  1
  P  P224  1  0.743306  0.799790  0.657100  1
  P  P225  1  0.433738  0.589240  0.696883  1
  P  P226  1  0.010658  0.379356  0.687184  1
  P  P227  1  0.633038  0.797020  0.611722  1
  P  P228  1  0.323343  0.590249  0.648340  1
  P  P229  1  0.085038  0.185632  0.672751  1
  P  P230  1  0.774995  0.977867  0.709281  1
  P  P231  1  0.396162  0.395364  0.636134  1
  P  P232  1  0.087112  0.680070  0.675591  1
  P  P233  1  0.778011  0.488705  0.710407  1
  P  P234  1  0.397383  0.892852  0.638102  1
  P  P235  1  0.848160  0.275854  0.704498  1
  P  P236  1  0.474305  0.690975  0.631541  1
  P  P237  1  0.163176  0.481938  0.667547  1
  P  P238  1  0.817523  0.101626  0.646528  1
  P  P239  1  0.506813  0.891166  0.684470  1
  P  P240  1  0.203070  0.685431  0.717871  1
