# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.73037331
_cell_length_b   12.85189510
_cell_length_c   51.61512287
_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   10434.776875
_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  0.416185  0.939330  0.329204  1
  Fe  Fe2  1  0.408667  0.388913  0.271613  1
  Fe  Fe3  1  0.914428  0.604678  0.258601  1
  Fe  Fe4  1  0.903750  0.154963  0.312775  1
  Fe  Fe5  1  0.109068  0.654963  0.312775  1
  Fe  Fe6  1  0.098390  0.104678  0.258601  1
  Fe  Fe7  1  0.604152  0.888913  0.271613  1
  Fe  Fe8  1  0.596634  0.439330  0.329204  1
  Fe  Fe9  1  0.261514  0.524309  0.291472  1
  Fe  Fe10  1  0.248933  0.088642  0.356413  1
  Fe  Fe11  1  0.763885  0.588642  0.356413  1
  Fe  Fe12  1  0.751304  0.024309  0.291472  1
  Fe  Fe13  1  0.415355  0.066029  0.455178  1
  Fe  Fe14  1  0.415867  0.506916  0.392664  1
  Fe  Fe15  1  0.912417  0.713436  0.377912  1
  Fe  Fe16  1  0.909139  0.276918  0.440341  1
  Fe  Fe17  1  0.103679  0.776918  0.440341  1
  Fe  Fe18  1  0.100401  0.213436  0.377912  1
  Fe  Fe19  1  0.596952  0.006916  0.392664  1
  Fe  Fe20  1  0.597463  0.566029  0.455178  1
  Fe  Fe21  1  0.252805  0.648974  0.418592  1
  Fe  Fe22  1  0.251233  0.211844  0.481935  1
  Fe  Fe23  1  0.761585  0.711844  0.481935  1
  Fe  Fe24  1  0.760013  0.148974  0.418592  1
  Fe  Fe25  1  0.416028  0.188621  0.580942  1
  Fe  Fe26  1  0.415251  0.627376  0.518308  1
  Fe  Fe27  1  0.909924  0.838868  0.503387  1
  Fe  Fe28  1  0.909721  0.401450  0.566245  1
  Fe  Fe29  1  0.103098  0.901450  0.566245  1
  Fe  Fe30  1  0.102894  0.338868  0.503387  1
  Fe  Fe31  1  0.597568  0.127376  0.518308  1
  Fe  Fe32  1  0.596791  0.688621  0.580942  1
  Fe  Fe33  1  0.251429  0.774071  0.545019  1
  Fe  Fe34  1  0.251155  0.336247  0.607694  1
  Fe  Fe35  1  0.761664  0.836247  0.607694  1
  Fe  Fe36  1  0.761389  0.274071  0.545019  1
  Fe  Fe37  1  0.409532  0.323779  0.706267  1
  Fe  Fe38  1  0.413052  0.746531  0.645220  1
  Fe  Fe39  1  0.909235  0.964149  0.629370  1
  Fe  Fe40  1  0.912148  0.523304  0.692572  1
  Fe  Fe41  1  0.100670  0.023304  0.692572  1
  Fe  Fe42  1  0.103583  0.464149  0.629370  1
  Fe  Fe43  1  0.599767  0.246531  0.645220  1
  Fe  Fe44  1  0.603286  0.823779  0.706267  1
  Fe  Fe45  1  0.248422  0.900146  0.670254  1
  Fe  Fe46  1  0.264688  0.449175  0.722085  1
  Fe  Fe47  1  0.748131  0.949175  0.722085  1
  Fe  Fe48  1  0.764396  0.400146  0.670254  1
  P  P49  1  0.506828  0.794486  0.340921  1
  P  P50  1  0.499329  0.230858  0.279407  1
  P  P51  1  0.998901  0.750217  0.246132  1
  P  P52  1  1.000237  0.308443  0.306819  1
  P  P53  1  0.012581  0.808443  0.306819  1
  P  P54  1  0.013917  0.250217  0.246132  1
  P  P55  1  0.513489  0.730858  0.279407  1
  P  P56  1  0.505990  0.294486  0.340921  1
  P  P57  1  0.510540  0.479031  0.292355  1
  P  P58  1  0.505123  0.043389  0.356499  1
  P  P59  1  0.008047  0.620179  0.350057  1
  P  P60  1  1.001509  0.055043  0.287866  1
  P  P61  1  0.848298  0.988328  0.326526  1
  P  P62  1  0.852171  0.436070  0.260852  1
  P  P63  1  0.356206  0.556663  0.254742  1
  P  P64  1  0.348696  0.113862  0.320250  1
  P  P65  1  0.664123  0.613862  0.320250  1
  P  P66  1  0.656612  0.056663  0.254742  1
  P  P67  1  0.160647  0.936070  0.260852  1
  P  P68  1  0.164521  0.488328  0.326526  1
  P  P69  1  0.683920  0.860595  0.305782  1
  P  P70  1  0.656666  0.315229  0.244716  1
  P  P71  1  0.190122  0.687105  0.276901  1
  P  P72  1  0.182489  0.248461  0.343822  1
  P  P73  1  0.830329  0.748461  0.343822  1
  P  P74  1  0.822696  0.187105  0.276901  1
  P  P75  1  0.356152  0.815229  0.244716  1
  P  P76  1  0.328899  0.360595  0.305782  1
  P  P77  1  0.844581  0.930012  0.263567  1
  P  P78  1  0.849671  0.490253  0.326653  1
  P  P79  1  0.352999  0.617087  0.318392  1
  P  P80  1  0.343232  0.058393  0.258864  1
  P  P81  1  0.669587  0.558393  0.258864  1
  P  P82  1  0.659819  0.117087  0.318392  1
  P  P83  1  0.163147  0.990253  0.326653  1
  P  P84  1  0.168237  0.430012  0.263567  1
  P  P85  1  0.322589  0.859333  0.303240  1
  P  P86  1  0.335061  0.303048  0.241516  1
  P  P87  1  0.827118  0.690668  0.283798  1
  P  P88  1  0.826496  0.241470  0.343361  1
  P  P89  1  0.186322  0.741470  0.343361  1
  P  P90  1  0.185701  0.190668  0.283798  1
  P  P91  1  0.677758  0.803048  0.241516  1
  P  P92  1  0.690229  0.359333  0.303240  1
  P  P93  1  0.507696  0.543389  0.356499  1
  P  P94  1  0.502278  0.979031  0.292355  1
  P  P95  1  0.011309  0.555043  0.287866  1
  P  P96  1  1.004772  0.120179  0.350057  1
  P  P97  1  0.506469  0.918124  0.465818  1
  P  P98  1  0.506765  0.357607  0.403185  1
  P  P99  1  1.004341  0.870090  0.369292  1
  P  P100  1  1.004519  0.430348  0.432054  1
  P  P101  1  0.008299  0.930348  0.432054  1
  P  P102  1  0.008477  0.370090  0.369292  1
  P  P103  1  0.506054  0.857607  0.403185  1
  P  P104  1  0.506349  0.418124  0.465818  1
  P  P105  1  0.505173  0.607586  0.419979  1
  P  P106  1  0.504533  0.168385  0.483132  1
  P  P107  1  0.006690  0.743675  0.476798  1
  P  P108  1  1.005428  0.180830  0.413810  1
  P  P109  1  0.851838  0.109671  0.453356  1
  P  P110  1  0.854081  0.546662  0.390371  1
  P  P111  1  0.350513  0.677855  0.381961  1
  P  P112  1  0.349734  0.238896  0.445371  1
  P  P113  1  0.663084  0.738896  0.445371  1
  P  P114  1  0.662306  0.177855  0.381961  1
  P  P115  1  0.158737  0.046662  0.390371  1
  P  P116  1  0.160981  0.609671  0.453356  1
  P  P117  1  0.684555  0.983579  0.428684  1
  P  P118  1  0.685627  0.422848  0.365761  1
  P  P119  1  0.184646  0.806922  0.405190  1
  P  P120  1  0.184185  0.369909  0.468422  1
  P  P121  1  0.828633  0.869909  0.468422  1
  P  P122  1  0.828173  0.306922  0.405190  1
  P  P123  1  0.327191  0.922848  0.365761  1
  P  P124  1  0.328264  0.483579  0.428684  1
  P  P125  1  0.848465  0.050048  0.390130  1
  P  P126  1  0.848741  0.612691  0.452997  1
  P  P127  1  0.349163  0.739610  0.445117  1
  P  P128  1  0.348004  0.177908  0.382561  1
  P  P129  1  0.664814  0.677908  0.382561  1
  P  P130  1  0.663655  0.239610  0.445117  1
  P  P131  1  0.164078  0.112691  0.452997  1
  P  P132  1  0.164353  0.550048  0.390130  1
  P  P133  1  0.326779  0.983724  0.427627  1
  P  P134  1  0.327027  0.423384  0.365901  1
  P  P135  1  0.828964  0.804392  0.407268  1
  P  P136  1  0.827878  0.366618  0.469354  1
  P  P137  1  0.184940  0.866618  0.469354  1
  P  P138  1  0.183855  0.304392  0.407268  1
  P  P139  1  0.685792  0.923384  0.365901  1
  P  P140  1  0.686039  0.483724  0.427627  1
  P  P141  1  0.508286  0.668385  0.483132  1
  P  P142  1  0.507645  0.107586  0.419979  1
  P  P143  1  0.007391  0.680830  0.413810  1
  P  P144  1  1.006128  0.243675  0.476798  1
  P  P145  1  0.506903  0.040007  0.591055  1
  P  P146  1  0.506688  0.479455  0.528516  1
  P  P147  1  1.004435  0.992977  0.494814  1
  P  P148  1  1.004567  0.555200  0.557684  1
  P  P149  1  0.008252  0.055200  0.557684  1
  P  P150  1  0.008383  0.492977  0.494814  1
  P  P151  1  0.506131  0.979455  0.528516  1
  P  P152  1  0.505915  0.540007  0.591055  1
  P  P153  1  0.504240  0.730362  0.546011  1
  P  P154  1  0.505494  0.290759  0.608988  1
  P  P155  1  0.006594  0.868587  0.602757  1
  P  P156  1  0.006413  0.305981  0.539784  1
  P  P157  1  0.852376  0.233926  0.579461  1
  P  P158  1  0.852668  0.671216  0.516187  1
  P  P159  1  0.349571  0.800200  0.508173  1
  P  P160  1  0.349911  0.361461  0.570844  1
  P  P161  1  0.662908  0.861461  0.570844  1
  P  P162  1  0.663247  0.300200  0.508173  1
  P  P163  1  0.160150  0.171216  0.516187  1
  P  P164  1  0.160443  0.733926  0.579461  1
  P  P165  1  0.685179  0.106976  0.554316  1
  P  P166  1  0.685267  0.544734  0.491042  1
  P  P167  1  0.184077  0.931418  0.531055  1
  P  P168  1  0.183847  0.493537  0.593834  1
  P  P169  1  0.828971  0.993537  0.593834  1
  P  P170  1  0.828742  0.431418  0.531055  1
  P  P171  1  0.327551  0.044734  0.491042  1
  P  P172  1  0.327640  0.606976  0.554316  1
  P  P173  1  0.848380  0.174766  0.516117  1
  P  P174  1  0.848424  0.737034  0.578528  1
  P  P175  1  0.348484  0.863486  0.571059  1
  P  P176  1  0.348752  0.301302  0.508128  1
  P  P177  1  0.664066  0.801302  0.508128  1
  P  P178  1  0.664335  0.363486  0.571059  1
  P  P179  1  0.164394  0.237034  0.578528  1
  P  P180  1  0.164438  0.674766  0.516117  1
  P  P181  1  0.327692  0.106566  0.552973  1
  P  P182  1  0.327485  0.545338  0.490605  1
  P  P183  1  0.827980  0.928999  0.532291  1
  P  P184  1  0.828404  0.491288  0.595252  1
  P  P185  1  0.184414  0.991288  0.595252  1
  P  P186  1  0.184838  0.428999  0.532291  1
  P  P187  1  0.685334  0.045338  0.490605  1
  P  P188  1  0.685126  0.606566  0.552973  1
  P  P189  1  0.507324  0.790759  0.608988  1
  P  P190  1  0.508578  0.230362  0.546011  1
  P  P191  1  1.006405  0.805981  0.539784  1
  P  P192  1  1.006224  0.368587  0.602757  1
  P  P193  1  0.497746  0.165062  0.714590  1
  P  P194  1  0.509148  0.602290  0.652920  1
  P  P195  1  1.004321  0.117362  0.620692  1
  P  P196  1  1.005688  0.678303  0.683790  1
  P  P197  1  0.007131  0.178303  0.683790  1
  P  P198  1  0.008497  0.617362  0.620692  1
  P  P199  1  0.503670  0.102290  0.652920  1
  P  P200  1  0.515072  0.665062  0.714590  1
  P  P201  1  0.503025  0.853491  0.671519  1
  P  P202  1  0.499665  0.407209  0.735551  1
  P  P203  1  1.003505  0.992979  0.728939  1
  P  P204  1  0.007761  0.430247  0.666057  1
  P  P205  1  0.852367  0.357022  0.706500  1
  P  P206  1  0.852359  0.795444  0.641447  1
  P  P207  1  0.348403  0.922122  0.633950  1
  P  P208  1  0.360697  0.496927  0.693228  1
  P  P209  1  0.652121  0.996927  0.693228  1
  P  P210  1  0.664415  0.422122  0.633950  1
  P  P211  1  0.160459  0.295444  0.641447  1
  P  P212  1  0.160451  0.857022  0.706500  1
  P  P213  1  0.687389  0.236192  0.681818  1
  P  P214  1  0.685752  0.667155  0.616224  1
  P  P215  1  0.182880  0.056399  0.657158  1
  P  P216  1  0.192615  0.604940  0.722104  1
  P  P217  1  0.820203  0.104940  0.722104  1
  P  P218  1  0.829939  0.556399  0.657158  1
  P  P219  1  0.327066  0.167155  0.616224  1
  P  P220  1  0.325429  0.736192  0.681818  1
  P  P221  1  0.849709  0.299967  0.642211  1
  P  P222  1  0.846286  0.857381  0.702249  1
  P  P223  1  0.348468  0.986414  0.696705  1
  P  P224  1  0.348783  0.423682  0.633224  1
  P  P225  1  0.664035  0.923682  0.633224  1
  P  P226  1  0.664351  0.486414  0.696705  1
  P  P227  1  0.166532  0.357381  0.702249  1
  P  P228  1  0.163110  0.799967  0.642211  1
  P  P229  1  0.329549  0.230232  0.677832  1
  P  P230  1  0.326626  0.668338  0.616852  1
  P  P231  1  0.827421  0.055927  0.657881  1
  P  P232  1  0.826834  0.615122  0.720421  1
  P  P233  1  0.185984  0.115122  0.720421  1
  P  P234  1  0.185398  0.555927  0.657881  1
  P  P235  1  0.686192  0.168338  0.616852  1
  P  P236  1  0.683269  0.730232  0.677832  1
  P  P237  1  0.513153  0.907209  0.735551  1
  P  P238  1  0.509793  0.353491  0.671519  1
  P  P239  1  1.005057  0.930247  0.666057  1
  P  P240  1  0.009314  0.492979  0.728939  1
