# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76904617
_cell_length_b   32.15229136
_cell_length_c   55.55156589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12090.2619516
_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  0.750424  0.017952  0.342956  1
  Fe  Fe2  1  0.750424  0.654104  0.379767  1
  Fe  Fe3  1  0.750424  0.382296  0.307226  1
  Fe  Fe4  1  0.250424  0.901942  0.379659  1
  Fe  Fe5  1  0.250424  0.627886  0.306551  1
  Fe  Fe6  1  0.250424  0.264654  0.341477  1
  Fe  Fe7  1  0.750424  0.835512  0.361407  1
  Fe  Fe8  1  0.750424  0.560733  0.289469  1
  Fe  Fe9  1  0.750424  0.199836  0.325577  1
  Fe  Fe10  1  0.250424  0.811376  0.288239  1
  Fe  Fe11  1  0.250424  0.444874  0.324500  1
  Fe  Fe12  1  0.250424  0.083332  0.360164  1
  Fe  Fe13  1  0.750424  0.927335  0.454205  1
  Fe  Fe14  1  0.750424  0.564220  0.491340  1
  Fe  Fe15  1  0.750424  0.290373  0.417363  1
  Fe  Fe16  1  0.250424  0.812102  0.490432  1
  Fe  Fe17  1  0.250424  0.538641  0.416496  1
  Fe  Fe18  1  0.250424  0.175292  0.453400  1
  Fe  Fe19  1  0.750424  0.745652  0.472497  1
  Fe  Fe20  1  0.750424  0.472199  0.398941  1
  Fe  Fe21  1  0.750424  0.108798  0.435613  1
  Fe  Fe22  1  0.250424  0.720189  0.397637  1
  Fe  Fe23  1  0.250424  0.357027  0.435251  1
  Fe  Fe24  1  0.250424  0.993873  0.472199  1
  Fe  Fe25  1  0.750424  0.837656  0.565258  1
  Fe  Fe26  1  0.750424  0.474493  0.602871  1
  Fe  Fe27  1  0.750424  0.200809  0.528309  1
  Fe  Fe28  1  0.250424  0.722483  0.601567  1
  Fe  Fe29  1  0.250424  0.449030  0.528012  1
  Fe  Fe30  1  0.250424  0.085885  0.564895  1
  Fe  Fe31  1  0.750424  0.656041  0.584012  1
  Fe  Fe32  1  0.750424  0.382580  0.510076  1
  Fe  Fe33  1  0.750424  0.019391  0.547109  1
  Fe  Fe34  1  0.250424  0.630463  0.509168  1
  Fe  Fe35  1  0.250424  0.267347  0.546303  1
  Fe  Fe36  1  0.250424  0.904310  0.583145  1
  Fe  Fe37  1  0.750424  0.749809  0.676008  1
  Fe  Fe38  1  0.750424  0.383306  0.712269  1
  Fe  Fe39  1  0.750424  0.111351  0.640345  1
  Fe  Fe40  1  0.250424  0.633950  0.711039  1
  Fe  Fe41  1  0.250424  0.359170  0.639102  1
  Fe  Fe42  1  0.250424  0.994847  0.674931  1
  Fe  Fe43  1  0.750424  0.566797  0.693958  1
  Fe  Fe44  1  0.750424  0.292740  0.620849  1
  Fe  Fe45  1  0.750424  0.930028  0.659031  1
  Fe  Fe46  1  0.250424  0.540578  0.620741  1
  Fe  Fe47  1  0.250424  0.176731  0.657552  1
  Fe  Fe48  1  0.250424  0.812386  0.693282  1
  P  P49  1  0.489578  0.799361  0.351263  1
  P  P50  1  0.487580  0.436351  0.389313  1
  P  P51  1  0.493348  0.163115  0.314719  1
  P  P52  1  0.750424  0.758119  0.306653  1
  P  P53  1  0.750424  0.393540  0.345567  1
  P  P54  1  0.750424  0.030711  0.381380  1
  P  P55  1  0.998586  0.022115  0.280087  1
  P  P56  1  0.986880  0.663632  0.314945  1
  P  P57  1  0.988718  0.300398  0.352076  1
  P  P58  1  0.250424  0.024356  0.379500  1
  P  P59  1  0.250424  0.749967  0.304452  1
  P  P60  1  0.250424  0.385899  0.343174  1
  P  P61  1  0.502262  0.022115  0.280087  1
  P  P62  1  0.513967  0.663632  0.314945  1
  P  P63  1  0.512129  0.300398  0.352076  1
  P  P64  1  0.011269  0.799361  0.351263  1
  P  P65  1  0.013267  0.436351  0.389313  1
  P  P66  1  0.007500  0.163115  0.314719  1
  P  P67  1  0.250424  0.070773  0.321648  1
  P  P68  1  0.250424  0.707085  0.359179  1
  P  P69  1  0.250424  0.434922  0.285700  1
  P  P70  1  0.750424  0.713349  0.360597  1
  P  P71  1  0.750424  0.440876  0.287154  1
  P  P72  1  0.750424  0.075921  0.322582  1
  P  P73  1  0.489923  0.980951  0.333730  1
  P  P74  1  0.487828  0.617907  0.370194  1
  P  P75  1  0.493777  0.345164  0.296594  1
  P  P76  1  0.750424  0.938301  0.289220  1
  P  P77  1  0.750424  0.574926  0.326790  1
  P  P78  1  0.750424  0.212271  0.363759  1
  P  P79  1  0.989455  0.847609  0.297141  1
  P  P80  1  0.989703  0.481743  0.334094  1
  P  P81  1  0.988088  0.119079  0.370252  1
  P  P82  1  0.250424  0.934853  0.287617  1
  P  P83  1  0.250424  0.566481  0.322383  1
  P  P84  1  0.250424  0.205665  0.360799  1
  P  P85  1  0.511392  0.847609  0.297141  1
  P  P86  1  0.511144  0.481743  0.334094  1
  P  P87  1  0.512759  0.119079  0.370252  1
  P  P88  1  0.010924  0.980951  0.333730  1
  P  P89  1  0.013019  0.617907  0.370194  1
  P  P90  1  0.007070  0.345164  0.296594  1
  P  P91  1  0.250424  0.889238  0.341193  1
  P  P92  1  0.250424  0.525514  0.377990  1
  P  P93  1  0.250424  0.252111  0.302899  1
  P  P94  1  0.750424  0.895352  0.343027  1
  P  P95  1  0.750424  0.531582  0.380187  1
  P  P96  1  0.750424  0.257782  0.305029  1
  P  P97  1  0.488256  0.709721  0.462721  1
  P  P98  1  0.488255  0.346679  0.500232  1
  P  P99  1  0.488030  0.073043  0.425739  1
  P  P100  1  0.750424  0.667301  0.418197  1
  P  P101  1  0.750424  0.304071  0.455741  1
  P  P102  1  0.750424  0.940937  0.492605  1
  P  P103  1  0.988299  0.937974  0.389414  1
  P  P104  1  0.988440  0.574649  0.426314  1
  P  P105  1  0.988453  0.211160  0.463383  1
  P  P106  1  0.250424  0.934278  0.490775  1
  P  P107  1  0.250424  0.660796  0.416466  1
  P  P108  1  0.250424  0.297482  0.453905  1
  P  P109  1  0.512549  0.937974  0.389414  1
  P  P110  1  0.512408  0.574649  0.426314  1
  P  P111  1  0.512395  0.211160  0.463383  1
  P  P112  1  0.012591  0.709721  0.462721  1
  P  P113  1  0.012593  0.346679  0.500232  1
  P  P114  1  0.012818  0.073043  0.425739  1
  P  P115  1  0.250424  0.980433  0.433795  1
  P  P116  1  0.250424  0.617054  0.470756  1
  P  P117  1  0.250424  0.343185  0.396847  1
  P  P118  1  0.750424  0.623613  0.472521  1
  P  P119  1  0.750424  0.349878  0.398776  1
  P  P120  1  0.750424  0.986966  0.435637  1
  P  P121  1  0.488208  0.891433  0.444367  1
  P  P122  1  0.488141  0.528267  0.481649  1
  P  P123  1  0.487619  0.254676  0.407456  1
  P  P124  1  0.750424  0.848946  0.399815  1
  P  P125  1  0.750424  0.485816  0.437306  1
  P  P126  1  0.750424  0.122366  0.474027  1
  P  P127  1  0.987951  0.756036  0.407413  1
  P  P128  1  0.988370  0.392944  0.445120  1
  P  P129  1  0.988232  0.029796  0.481978  1
  P  P130  1  0.250424  0.842058  0.397849  1
  P  P131  1  0.250424  0.479362  0.435453  1
  P  P132  1  0.250424  0.115861  0.472169  1
  P  P133  1  0.512897  0.756036  0.407413  1
  P  P134  1  0.512478  0.392944  0.445120  1
  P  P135  1  0.512616  0.029796  0.481978  1
  P  P136  1  0.012639  0.891433  0.444367  1
  P  P137  1  0.012706  0.528267  0.481649  1
  P  P138  1  0.013228  0.254676  0.407456  1
  P  P139  1  0.250424  0.798542  0.452011  1
  P  P140  1  0.250424  0.435526  0.489599  1
  P  P141  1  0.250424  0.161716  0.414936  1
  P  P142  1  0.750424  0.805174  0.453843  1
  P  P143  1  0.750424  0.442120  0.491422  1
  P  P144  1  0.750424  0.168272  0.417004  1
  P  P145  1  0.488440  0.620033  0.574194  1
  P  P146  1  0.488299  0.256708  0.611094  1
  P  P147  1  0.488453  0.983522  0.537126  1
  P  P148  1  0.750424  0.577629  0.529752  1
  P  P149  1  0.750424  0.214249  0.566713  1
  P  P150  1  0.750424  0.851497  0.603661  1
  P  P151  1  0.988255  0.848003  0.500276  1
  P  P152  1  0.988256  0.484961  0.537788  1
  P  P153  1  0.988030  0.121639  0.574769  1
  P  P154  1  0.250424  0.844805  0.601733  1
  P  P155  1  0.250424  0.571070  0.527987  1
  P  P156  1  0.250424  0.207717  0.564872  1
  P  P157  1  0.512593  0.848003  0.500276  1
  P  P158  1  0.512591  0.484961  0.537788  1
  P  P159  1  0.512818  0.121639  0.574769  1
  P  P160  1  0.012408  0.620033  0.574194  1
  P  P161  1  0.012549  0.256708  0.611094  1
  P  P162  1  0.012395  0.983522  0.537126  1
  P  P163  1  0.250424  0.890611  0.544768  1
  P  P164  1  0.250424  0.527381  0.582311  1
  P  P165  1  0.250424  0.253745  0.507903  1
  P  P166  1  0.750424  0.533886  0.584042  1
  P  P167  1  0.750424  0.260404  0.509733  1
  P  P168  1  0.750424  0.897200  0.546603  1
  P  P169  1  0.488370  0.801738  0.555389  1
  P  P170  1  0.487951  0.438646  0.593096  1
  P  P171  1  0.488232  0.164887  0.518530  1
  P  P172  1  0.750424  0.759156  0.510910  1
  P  P173  1  0.750424  0.396140  0.548497  1
  P  P174  1  0.750424  0.032966  0.585572  1
  P  P175  1  0.988141  0.666416  0.518859  1
  P  P176  1  0.988208  0.303250  0.556141  1
  P  P177  1  0.987619  0.940006  0.593053  1
  P  P178  1  0.250424  0.752562  0.509087  1
  P  P179  1  0.250424  0.389509  0.546666  1
  P  P180  1  0.250424  0.026411  0.583504  1
  P  P181  1  0.512706  0.666416  0.518859  1
  P  P182  1  0.512639  0.303250  0.556141  1
  P  P183  1  0.513228  0.940006  0.593053  1
  P  P184  1  0.012478  0.801738  0.555389  1
  P  P185  1  0.012897  0.438646  0.593096  1
  P  P186  1  0.012616  0.164887  0.518530  1
  P  P187  1  0.250424  0.708867  0.563202  1
  P  P188  1  0.250424  0.345736  0.600694  1
  P  P189  1  0.250424  0.072317  0.526481  1
  P  P190  1  0.750424  0.715321  0.565055  1
  P  P191  1  0.750424  0.352624  0.602660  1
  P  P192  1  0.750424  0.078822  0.528339  1
  P  P193  1  0.486880  0.531051  0.685563  1
  P  P194  1  0.498586  0.172567  0.720421  1
  P  P195  1  0.488718  0.894285  0.648432  1
  P  P196  1  0.750424  0.487598  0.641329  1
  P  P197  1  0.750424  0.123909  0.678860  1
  P  P198  1  0.750424  0.759760  0.714808  1
  P  P199  1  0.987580  0.758331  0.611195  1
  P  P200  1  0.989578  0.395321  0.649245  1
  P  P201  1  0.993348  0.031567  0.685790  1
  P  P202  1  0.250424  0.753807  0.713354  1
  P  P203  1  0.250424  0.481333  0.639911  1
  P  P204  1  0.250424  0.118762  0.677926  1
  P  P205  1  0.513267  0.758331  0.611195  1
  P  P206  1  0.511269  0.395321  0.649245  1
  P  P207  1  0.507500  0.031567  0.685790  1
  P  P208  1  0.013967  0.531051  0.685563  1
  P  P209  1  0.002262  0.172567  0.720421  1
  P  P210  1  0.012129  0.894285  0.648432  1
  P  P211  1  0.250424  0.801142  0.654941  1
  P  P212  1  0.250424  0.436563  0.693855  1
  P  P213  1  0.250424  0.163971  0.619129  1
  P  P214  1  0.750424  0.444716  0.696057  1
  P  P215  1  0.750424  0.170327  0.621008  1
  P  P216  1  0.750424  0.808784  0.657334  1
  P  P217  1  0.489703  0.712939  0.666414  1
  P  P218  1  0.489455  0.347073  0.703367  1
  P  P219  1  0.488088  0.075603  0.630257  1
  P  P220  1  0.750424  0.669169  0.622519  1
  P  P221  1  0.750424  0.305444  0.659315  1
  P  P222  1  0.750424  0.942571  0.697610  1
  P  P223  1  0.987828  0.576776  0.630315  1
  P  P224  1  0.989923  0.213731  0.666778  1
  P  P225  1  0.993777  0.849518  0.703914  1
  P  P226  1  0.250424  0.663100  0.620321  1
  P  P227  1  0.250424  0.299330  0.657482  1
  P  P228  1  0.250424  0.936901  0.695480  1
  P  P229  1  0.513019  0.576776  0.630315  1
  P  P230  1  0.510924  0.213731  0.666778  1
  P  P231  1  0.507070  0.849518  0.703914  1
  P  P232  1  0.011144  0.712939  0.666414  1
  P  P233  1  0.011392  0.347073  0.703367  1
  P  P234  1  0.012759  0.075603  0.630257  1
  P  P235  1  0.250424  0.619756  0.673718  1
  P  P236  1  0.250424  0.256382  0.711288  1
  P  P237  1  0.250424  0.982412  0.636749  1
  P  P238  1  0.750424  0.628202  0.678125  1
  P  P239  1  0.750424  0.259830  0.712892  1
  P  P240  1  0.750424  0.989017  0.639709  1
