# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64154354
_cell_length_b   36.74559648
_cell_length_c   47.99891793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.43370595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   11678.9601078
_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  0.104885  0.471497  0.299562  1
  Fe  Fe2  1  0.838296  0.932780  0.342067  1
  Fe  Fe3  1  0.691199  0.714999  0.305366  1
  Fe  Fe4  1  0.950419  0.177468  0.350891  1
  Fe  Fe5  1  0.477659  0.251102  0.381558  1
  Fe  Fe6  1  0.226757  0.786503  0.327140  1
  Fe  Fe7  1  0.659355  0.545454  0.325403  1
  Fe  Fe8  1  0.373652  0.006953  0.371858  1
  Fe  Fe9  1  0.281031  0.323813  0.389789  1
  Fe  Fe10  1  0.035804  0.860470  0.334036  1
  Fe  Fe11  1  0.916064  0.592757  0.362546  1
  Fe  Fe12  1  0.694941  0.130856  0.314526  1
  Fe  Fe13  1  0.086661  0.396192  0.397449  1
  Fe  Fe14  1  0.301506  0.859624  0.451703  1
  Fe  Fe15  1  0.162600  0.640411  0.406281  1
  Fe  Fe16  1  0.920568  0.105921  0.462417  1
  Fe  Fe17  1  0.445463  0.178046  0.490598  1
  Fe  Fe18  1  0.694392  0.714033  0.437287  1
  Fe  Fe19  1  0.623051  0.469545  0.428490  1
  Fe  Fe20  1  0.825765  0.931851  0.480245  1
  Fe  Fe21  1  0.247896  0.250801  0.498106  1
  Fe  Fe22  1  0.495178  0.786764  0.444951  1
  Fe  Fe23  1  0.880383  0.518533  0.472606  1
  Fe  Fe24  1  0.626100  0.052637  0.414205  1
  Fe  Fe25  1  0.048753  0.322793  0.506342  1
  Fe  Fe26  1  0.280112  0.786573  0.560668  1
  Fe  Fe27  1  0.132866  0.566965  0.516347  1
  Fe  Fe28  1  0.360627  0.031060  0.570531  1
  Fe  Fe29  1  0.898953  0.104744  0.599669  1
  Fe  Fe30  1  0.666883  0.640711  0.546980  1
  Fe  Fe31  1  0.572167  0.393985  0.535292  1
  Fe  Fe32  1  0.813805  0.860494  0.591756  1
  Fe  Fe33  1  0.701490  0.177257  0.608909  1
  Fe  Fe34  1  0.472123  0.713694  0.553870  1
  Fe  Fe35  1  0.870107  0.447468  0.583992  1
  Fe  Fe36  1  0.111878  0.984292  0.527949  1
  Fe  Fe37  1  0.502162  0.248917  0.617413  1
  Fe  Fe38  1  0.262284  0.713296  0.670394  1
  Fe  Fe39  1  0.111982  0.493298  0.626148  1
  Fe  Fe40  1  0.319672  0.956078  0.673445  1
  Fe  Fe41  1  0.858323  0.035920  0.701871  1
  Fe  Fe42  1  0.644984  0.567778  0.655416  1
  Fe  Fe43  1  0.031113  0.323091  0.647672  1
  Fe  Fe44  1  0.795122  0.783480  0.692503  1
  Fe  Fe45  1  0.683550  0.101432  0.708494  1
  Fe  Fe46  1  0.451791  0.640085  0.663266  1
  Fe  Fe47  1  0.290032  0.370163  0.683661  1
  Fe  Fe48  1  0.063429  0.908239  0.635914  1
  P  P49  1  0.110516  0.457590  0.377882  1
  P  P50  1  0.856214  0.993795  0.321610  1
  P  P51  1  0.696178  0.726430  0.350284  1
  P  P52  1  0.990642  0.263141  0.295894  1
  P  P53  1  0.492128  0.262241  0.295359  1
  P  P54  1  0.198224  0.725294  0.347875  1
  P  P55  1  0.607160  0.457302  0.377564  1
  P  P56  1  0.356749  0.993430  0.322232  1
  P  P57  1  0.377914  0.496261  0.321122  1
  P  P58  1  0.093479  0.956892  0.374638  1
  P  P59  1  0.723799  0.225747  0.348309  1
  P  P60  1  0.469224  0.761781  0.293035  1
  P  P61  1  0.184120  0.637332  0.356299  1
  P  P62  1  0.957542  0.174381  0.300215  1
  P  P63  1  0.076173  0.414896  0.313902  1
  P  P64  1  0.797108  0.879559  0.367229  1
  P  P65  1  0.642251  0.546458  0.371032  1
  P  P66  1  0.423001  0.083090  0.310558  1
  P  P67  1  0.521090  0.304335  0.356187  1
  P  P68  1  0.264044  0.840050  0.299402  1
  P  P69  1  0.942055  0.581553  0.310846  1
  P  P70  1  0.645745  0.048083  0.364942  1
  P  P71  1  0.282595  0.338631  0.304452  1
  P  P72  1  0.993135  0.802842  0.358095  1
  P  P73  1  0.417975  0.673785  0.300033  1
  P  P74  1  0.676987  0.135042  0.360316  1
  P  P75  1  0.322946  0.381195  0.365669  1
  P  P76  1  0.066084  0.917491  0.308260  1
  P  P77  1  0.678993  0.637189  0.359055  1
  P  P78  1  0.459094  0.172534  0.303517  1
  P  P79  1  0.579695  0.417493  0.312451  1
  P  P80  1  0.295235  0.880516  0.365502  1
  P  P81  1  0.151677  0.547814  0.366631  1
  P  P82  1  0.917169  0.085403  0.309679  1
  P  P83  1  0.018643  0.303657  0.358311  1
  P  P84  1  0.766166  0.838862  0.303785  1
  P  P85  1  0.817154  0.380222  0.367462  1
  P  P86  1  0.564164  0.915752  0.312796  1
  P  P87  1  0.910567  0.670099  0.302866  1
  P  P88  1  0.186647  0.136082  0.356170  1
  P  P89  1  0.781184  0.339587  0.303247  1
  P  P90  1  0.492807  0.803765  0.356324  1
  P  P91  1  0.444732  0.585831  0.311824  1
  P  P92  1  0.137779  0.048094  0.366351  1
  P  P93  1  0.864290  0.494607  0.324156  1
  P  P94  1  0.594820  0.957666  0.375823  1
  P  P95  1  0.968888  0.760704  0.294096  1
  P  P96  1  0.224215  0.226727  0.348401  1
  P  P97  1  0.072612  0.384170  0.487095  1
  P  P98  1  0.325015  0.920669  0.431009  1
  P  P99  1  0.173169  0.653468  0.457524  1
  P  P100  1  0.958022  0.189612  0.401780  1
  P  P101  1  0.456217  0.189885  0.401809  1
  P  P102  1  0.674127  0.652765  0.457377  1
  P  P103  1  0.573699  0.383279  0.486235  1
  P  P104  1  0.826271  0.920450  0.430911  1
  P  P105  1  0.342940  0.419729  0.430909  1
  P  P106  1  0.558245  0.883321  0.484745  1
  P  P107  1  0.686427  0.152506  0.456761  1
  P  P108  1  0.938795  0.688790  0.403421  1
  P  P109  1  0.148929  0.565267  0.466902  1
  P  P110  1  0.914474  0.100040  0.411771  1
  P  P111  1  0.043218  0.343101  0.423699  1
  P  P112  1  0.260462  0.806589  0.478028  1
  P  P113  1  0.611110  0.471657  0.477976  1
  P  P114  1  0.359970  0.009058  0.421234  1
  P  P115  1  0.486332  0.231124  0.464652  1
  P  P116  1  0.735268  0.767642  0.411854  1
  P  P117  1  0.890995  0.511726  0.421777  1
  P  P118  1  0.100921  0.974745  0.476394  1
  P  P119  1  0.240855  0.266167  0.413437  1
  P  P120  1  0.457768  0.729447  0.468898  1
  P  P121  1  0.901275  0.598656  0.413703  1
  P  P122  1  0.641178  0.062614  0.465847  1
  P  P123  1  0.287676  0.307820  0.474761  1
  P  P124  1  0.535382  0.843920  0.420060  1
  P  P125  1  0.644758  0.562486  0.468714  1
  P  P126  1  0.408302  0.099172  0.413223  1
  P  P127  1  0.549013  0.344096  0.420331  1
  P  P128  1  0.766738  0.807989  0.474889  1
  P  P129  1  0.113507  0.474139  0.476199  1
  P  P130  1  0.865519  0.010003  0.420488  1
  P  P131  1  0.981206  0.229731  0.467663  1
  P  P132  1  0.236539  0.766502  0.412299  1
  P  P133  1  0.779580  0.305683  0.477522  1
  P  P134  1  0.036652  0.843251  0.421503  1
  P  P135  1  0.406422  0.600297  0.411878  1
  P  P136  1  0.141618  0.062587  0.466418  1
  P  P137  1  0.749012  0.267705  0.411091  1
  P  P138  1  0.966550  0.731257  0.466145  1
  P  P139  1  0.381950  0.510289  0.424143  1
  P  P140  1  0.599793  0.974632  0.476086  1
  P  P141  1  0.845553  0.421497  0.431510  1
  P  P142  1  0.061696  0.885193  0.485406  1
  P  P143  1  0.437945  0.690131  0.404360  1
  P  P144  1  0.189120  0.154268  0.457656  1
  P  P145  1  0.525840  0.310300  0.595999  1
  P  P146  1  0.299533  0.848048  0.540712  1
  P  P147  1  0.145520  0.580367  0.566945  1
  P  P148  1  0.917508  0.117095  0.511516  1
  P  P149  1  0.419621  0.116916  0.510974  1
  P  P150  1  0.645402  0.579296  0.566867  1
  P  P151  1  0.024798  0.310395  0.596860  1
  P  P152  1  0.800124  0.847727  0.540722  1
  P  P153  1  0.300464  0.346223  0.540319  1
  P  P154  1  0.537648  0.810534  0.593760  1
  P  P155  1  0.142510  0.079773  0.566411  1
  P  P156  1  0.907862  0.615251  0.512852  1
  P  P157  1  0.127692  0.492089  0.576440  1
  P  P158  1  0.376832  0.028495  0.520846  1
  P  P159  1  0.009005  0.269437  0.532448  1
  P  P160  1  0.238252  0.733761  0.588076  1
  P  P161  1  0.582466  0.400257  0.585562  1
  P  P162  1  0.830687  0.936574  0.530885  1
  P  P163  1  0.939267  0.158326  0.574856  1
  P  P164  1  0.708783  0.693857  0.519967  1
  P  P165  1  0.853821  0.437827  0.531848  1
  P  P166  1  0.075062  0.902584  0.584651  1
  P  P167  1  0.208653  0.193565  0.522226  1
  P  P168  1  0.432183  0.656254  0.578616  1
  P  P169  1  0.870889  0.524649  0.523398  1
  P  P170  1  0.090695  0.989472  0.577213  1
  P  P171  1  0.739435  0.234235  0.585575  1
  P  P172  1  0.514174  0.771257  0.529158  1
  P  P173  1  0.619096  0.488941  0.578521  1
  P  P174  1  0.873182  0.027361  0.521523  1
  P  P175  1  0.505985  0.270329  0.531029  1
  P  P176  1  0.742684  0.734345  0.583815  1
  P  P177  1  0.077979  0.400171  0.585641  1
  P  P178  1  0.333985  0.938152  0.529685  1
  P  P179  1  0.443707  0.157545  0.575522  1
  P  P180  1  0.204215  0.693001  0.523554  1
  P  P181  1  0.236807  0.232583  0.587509  1
  P  P182  1  0.007431  0.769766  0.531830  1
  P  P183  1  0.377906  0.526727  0.521058  1
  P  P184  1  0.601802  0.990411  0.574678  1
  P  P185  1  0.709495  0.194687  0.520525  1
  P  P186  1  0.939271  0.657877  0.576056  1
  P  P187  1  0.347378  0.437397  0.532550  1
  P  P188  1  0.569504  0.900658  0.586450  1
  P  P189  1  0.804501  0.347291  0.540764  1
  P  P190  1  0.040772  0.812642  0.594575  1
  P  P191  1  0.410073  0.617279  0.513640  1
  P  P192  1  0.642272  0.080539  0.567343  1
  P  P193  1  0.490018  0.238854  0.703659  1
  P  P194  1  0.287400  0.774887  0.650540  1
  P  P195  1  0.128021  0.506789  0.675727  1
  P  P196  1  0.373695  0.043583  0.621614  1
  P  P197  1  0.873176  0.043306  0.620635  1
  P  P198  1  0.627806  0.506544  0.675877  1
  P  P199  1  0.994261  0.238981  0.703008  1
  P  P200  1  0.787518  0.774324  0.647246  1
  P  P201  1  0.756953  0.273998  0.650183  1
  P  P202  1  0.523460  0.737258  0.703576  1
  P  P203  1  0.104684  0.005255  0.677046  1
  P  P204  1  0.886451  0.542052  0.622066  1
  P  P205  1  0.566537  0.415881  0.689010  1
  P  P206  1  0.336245  0.954766  0.627895  1
  P  P207  1  0.463331  0.196020  0.643418  1
  P  P208  1  0.222496  0.660009  0.698489  1
  P  P209  1  0.022776  0.327805  0.698126  1
  P  P210  1  0.793484  0.863378  0.641586  1
  P  P211  1  0.923348  0.087675  0.679386  1
  P  P212  1  0.687957  0.620606  0.629542  1
  P  P213  1  0.304765  0.365276  0.638077  1
  P  P214  1  0.058217  0.828983  0.695283  1
  P  P215  1  0.659529  0.120285  0.631236  1
  P  P216  1  0.418533  0.582838  0.689417  1
  P  P217  1  0.846574  0.450932  0.633430  1
  P  P218  1  0.045443  0.916951  0.687544  1
  P  P219  1  0.701979  0.161263  0.697731  1
  P  P220  1  0.495189  0.697712  0.638916  1
  P  P221  1  0.077258  0.416927  0.687212  1
  P  P222  1  0.828335  0.952864  0.631963  1
  P  P223  1  0.962199  0.196487  0.641373  1
  P  P224  1  0.721941  0.660732  0.693822  1
  P  P225  1  0.520850  0.327451  0.694909  1
  P  P226  1  0.297239  0.863691  0.639572  1
  P  P227  1  0.398950  0.083819  0.686445  1
  P  P228  1  0.183075  0.619639  0.633619  1
  P  P229  1  0.201271  0.161141  0.696845  1
  P  P230  1  0.988194  0.696534  0.642409  1
  P  P231  1  0.352561  0.452769  0.631630  1
  P  P232  1  0.543830  0.916222  0.686040  1
  P  P233  1  0.174412  0.122757  0.628136  1
  P  P234  1  0.918432  0.583951  0.685321  1
  P  P235  1  0.797752  0.364333  0.641622  1
  P  P236  1  0.559722  0.826371  0.697623  1
  P  P237  1  0.257444  0.274744  0.650217  1
  P  P238  1  0.025192  0.739552  0.705087  1
  P  P239  1  0.387056  0.543970  0.623123  1
  P  P240  1  0.602944  0.005426  0.677728  1
