# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.73699625
_cell_length_b   16.00364909
_cell_length_c   46.30202998
_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   11661.1368808
_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  0.598775  0.723011  0.340950  1
  Fe  Fe2  1  0.580007  0.346124  0.298751  1
  Fe  Fe3  1  0.108503  0.792986  0.295005  1
  Fe  Fe4  1  0.104234  0.184009  0.343377  1
  Fe  Fe5  1  0.909071  0.371216  0.369881  1
  Fe  Fe6  1  0.896050  0.988622  0.319855  1
  Fe  Fe7  1  0.423932  0.534891  0.327303  1
  Fe  Fe8  1  0.411526  0.914702  0.365097  1
  Fe  Fe9  1  0.760496  0.668374  0.313537  1
  Fe  Fe10  1  0.753633  0.051029  0.354917  1
  Fe  Fe11  1  0.248917  0.235968  0.379828  1
  Fe  Fe12  1  0.257474  0.857050  0.328457  1
  Fe  Fe13  1  0.597403  0.492146  0.459056  1
  Fe  Fe14  1  0.602267  0.108080  0.395266  1
  Fe  Fe15  1  0.105418  0.560763  0.397262  1
  Fe  Fe16  1  0.102777  0.944778  0.453537  1
  Fe  Fe17  1  0.909973  0.134444  0.482467  1
  Fe  Fe18  1  0.910683  0.753260  0.425744  1
  Fe  Fe19  1  0.414255  0.300862  0.428294  1
  Fe  Fe20  1  0.417575  0.686837  0.483379  1
  Fe  Fe21  1  0.763651  0.423471  0.408356  1
  Fe  Fe22  1  0.761976  0.805476  0.465271  1
  Fe  Fe23  1  0.251028  -0.001341  0.492691  1
  Fe  Fe24  1  0.252163  0.612246  0.437931  1
  Fe  Fe25  1  0.597875  0.259913  0.567627  1
  Fe  Fe26  1  0.596379  0.879975  0.510746  1
  Fe  Fe27  1  0.102805  0.326161  0.510020  1
  Fe  Fe28  1  0.103908  0.712479  0.563616  1
  Fe  Fe29  1  0.915119  0.901332  0.591363  1
  Fe  Fe30  1  0.908950  0.519740  0.537479  1
  Fe  Fe31  1  0.416166  0.070568  0.538623  1
  Fe  Fe32  1  0.415664  0.450561  0.596527  1
  Fe  Fe33  1  0.763445  0.189910  0.520884  1
  Fe  Fe34  1  0.761765  0.573159  0.577050  1
  Fe  Fe35  1  0.251989  0.764175  0.604031  1
  Fe  Fe36  1  0.248805  0.381337  0.548255  1
  Fe  Fe37  1  0.604596  0.019567  0.674323  1
  Fe  Fe38  1  0.599276  0.642467  0.623525  1
  Fe  Fe39  1  0.103505  0.092503  0.624101  1
  Fe  Fe40  1  0.099513  0.479161  0.677890  1
  Fe  Fe41  1  0.919105  0.665660  0.691358  1
  Fe  Fe42  1  0.911083  0.286525  0.651754  1
  Fe  Fe43  1  0.413343  0.832823  0.649639  1
  Fe  Fe44  1  0.400596  0.217161  0.696761  1
  Fe  Fe45  1  0.750296  0.964807  0.638754  1
  Fe  Fe46  1  0.758465  0.344898  0.683923  1
  Fe  Fe47  1  0.258715  0.541599  0.705215  1
  Fe  Fe48  1  0.254686  0.149483  0.662456  1
  P  P49  1  0.508250  0.686123  0.383308  1
  P  P50  1  0.495921  0.301637  0.332163  1
  P  P51  1  0.009123  0.607287  0.357305  1
  P  P52  1  0.008669  0.225662  0.303505  1
  P  P53  1  1.005567  0.419713  0.330395  1
  P  P54  1  0.007282  0.799169  0.385476  1
  P  P55  1  0.510733  0.491856  0.361104  1
  P  P56  1  0.507816  0.116531  0.302708  1
  P  P57  1  0.514795  0.631469  0.307301  1
  P  P58  1  0.507070  0.032583  0.365056  1
  P  P59  1  0.010981  0.883401  0.315349  1
  P  P60  1  0.006381  0.255547  0.372883  1
  P  P61  1  0.158419  0.740055  0.335324  1
  P  P62  1  0.158382  0.121304  0.386719  1
  P  P63  1  0.673172  0.768910  0.296553  1
  P  P64  1  0.660723  0.168995  0.351127  1
  P  P65  1  0.348898  0.355560  0.381174  1
  P  P66  1  0.351778  0.973221  0.320881  1
  P  P67  1  0.846849  0.560899  0.301751  1
  P  P68  1  0.850120  0.932510  0.360923  1
  P  P69  1  0.341980  0.432958  0.312144  1
  P  P70  1  0.328215  0.804968  0.371495  1
  P  P71  1  0.830379  0.488526  0.367273  1
  P  P72  1  0.822850  0.107275  0.310050  1
  P  P73  1  0.192685  0.901192  0.281642  1
  P  P74  1  0.188212  0.298854  0.336137  1
  P  P75  1  0.682703  0.613698  0.349299  1
  P  P76  1  0.668773  0.246826  0.285501  1
  P  P77  1  0.163486  0.556472  0.306653  1
  P  P78  1  0.166472  0.937691  0.357354  1
  P  P79  1  0.665107  0.356213  0.379549  1
  P  P80  1  0.661113  0.973093  0.324654  1
  P  P81  1  0.342974  0.765966  0.298736  1
  P  P82  1  0.345752  0.159492  0.353596  1
  P  P83  1  0.859632  0.746917  0.333717  1
  P  P84  1  0.845514  0.129512  0.384582  1
  P  P85  1  0.666924  0.443850  0.313459  1
  P  P86  1  0.681619  0.813321  0.370351  1
  P  P87  1  0.188277  0.480333  0.368793  1
  P  P88  1  0.182795  0.099060  0.311864  1
  P  P89  1  0.826333  0.906782  0.287123  1
  P  P90  1  0.825018  0.299695  0.337215  1
  P  P91  1  0.329183  0.619706  0.346186  1
  P  P92  1  0.341800  0.233433  0.290307  1
  P  P93  1  0.504465  0.225553  0.395018  1
  P  P94  1  0.504533  0.835781  0.333651  1
  P  P95  1  0.010018  0.691462  0.286402  1
  P  P96  1  1.002213  0.065399  0.345110  1
  P  P97  1  0.504614  0.446207  0.495803  1
  P  P98  1  0.508583  0.064549  0.437544  1
  P  P99  1  0.007642  0.368713  0.468864  1
  P  P100  1  0.006444  0.988885  0.412955  1
  P  P101  1  1.004943  0.178914  0.440836  1
  P  P102  1  1.005305  0.560357  0.496666  1
  P  P103  1  0.507112  0.254209  0.467324  1
  P  P104  1  0.503898  0.874677  0.408591  1
  P  P105  1  0.509681  0.415723  0.424376  1
  P  P106  1  0.508153  0.805507  0.477121  1
  P  P107  1  0.006565  0.632348  0.428887  1
  P  P108  1  1.005703  0.014144  0.484495  1
  P  P109  1  0.160805  0.499842  0.442590  1
  P  P110  1  0.161584  0.882994  0.497537  1
  P  P111  1  0.666215  0.543518  0.412860  1
  P  P112  1  0.664927  0.930451  0.465217  1
  P  P113  1  0.348929  0.122486  0.492585  1
  P  P114  1  0.349629  0.736857  0.437577  1
  P  P115  1  0.851921  0.311424  0.414158  1
  P  P116  1  0.852270  0.691310  0.470241  1
  P  P117  1  0.326803  0.186656  0.425765  1
  P  P118  1  0.329443  0.569157  0.482794  1
  P  P119  1  0.830686  0.251242  0.480129  1
  P  P120  1  0.829271  0.868079  0.424880  1
  P  P121  1  0.185036  0.675886  0.398225  1
  P  P122  1  0.183412  0.060190  0.451822  1
  P  P123  1  0.686734  0.376891  0.454647  1
  P  P124  1  0.685293  -0.003500  0.398928  1
  P  P125  1  0.165327  0.313173  0.412918  1
  P  P126  1  0.164921  0.693300  0.469635  1
  P  P127  1  0.665734  0.121620  0.492585  1
  P  P128  1  0.663925  0.739129  0.436350  1
  P  P129  1  0.350949  0.544083  0.410089  1
  P  P130  1  0.348983  0.931012  0.463856  1
  P  P131  1  0.849916  0.501884  0.441790  1
  P  P132  1  0.848164  0.885267  0.497302  1
  P  P133  1  0.684008  0.190073  0.425704  1
  P  P134  1  0.685958  0.573458  0.484005  1
  P  P135  1  0.183968  0.246864  0.480062  1
  P  P136  1  0.184936  0.865542  0.424036  1
  P  P137  1  0.827905  0.673222  0.397245  1
  P  P138  1  0.828647  0.057383  0.451921  1
  P  P139  1  0.327359  0.379727  0.455206  1
  P  P140  1  0.328858  -0.002293  0.397210  1
  P  P141  1  0.505331  -0.002581  0.505209  1
  P  P142  1  0.506200  0.610959  0.450629  1
  P  P143  1  0.007322  0.443077  0.401186  1
  P  P144  1  0.007450  0.823269  0.456672  1
  P  P145  1  0.503597  0.211735  0.605534  1
  P  P146  1  0.506005  0.831102  0.549724  1
  P  P147  1  0.007867  0.134305  0.581536  1
  P  P148  1  0.006864  0.752997  0.523967  1
  P  P149  1  0.007340  0.945243  0.551984  1
  P  P150  1  1.004682  0.325778  0.609289  1
  P  P151  1  0.507198  0.021177  0.577755  1
  P  P152  1  0.507266  0.639413  0.522658  1
  P  P153  1  0.508495  0.187173  0.534018  1
  P  P154  1  0.507510  0.568168  0.590007  1
  P  P155  1  1.004700  0.396368  0.540612  1
  P  P156  1  0.006983  0.783489  0.594855  1
  P  P157  1  0.160017  0.264660  0.554241  1
  P  P158  1  0.162168  0.650904  0.607048  1
  P  P159  1  0.664442  0.313081  0.521326  1
  P  P160  1  0.663330  0.694881  0.576580  1
  P  P161  1  0.349500  0.886179  0.603927  1
  P  P162  1  0.348602  0.503197  0.549406  1
  P  P163  1  0.852571  0.072632  0.527060  1
  P  P164  1  0.851568  0.458355  0.581401  1
  P  P165  1  0.329705  0.953528  0.537322  1
  P  P166  1  0.326241  0.336094  0.592489  1
  P  P167  1  0.827492  0.014405  0.593857  1
  P  P168  1  0.828956  0.635886  0.535973  1
  P  P169  1  0.182804  0.442765  0.507954  1
  P  P170  1  0.185644  0.827422  0.562839  1
  P  P171  1  0.685615  0.143928  0.565522  1
  P  P172  1  0.683447  0.762403  0.509912  1
  P  P173  1  0.165455  0.075801  0.525219  1
  P  P174  1  0.162542  0.458508  0.581026  1
  P  P175  1  0.665934  0.886919  0.605638  1
  P  P176  1  0.663741  0.502902  0.548845  1
  P  P177  1  0.347915  0.311218  0.520777  1
  P  P178  1  0.349944  0.695047  0.575669  1
  P  P179  1  0.848919  0.266887  0.553695  1
  P  P180  1  0.849518  0.652333  0.608896  1
  P  P181  1  0.684085  0.955309  0.538924  1
  P  P182  1  0.685441  0.336295  0.595088  1
  P  P183  1  0.183602  0.012813  0.592791  1
  P  P184  1  0.185623  0.629544  0.535605  1
  P  P185  1  0.827572  0.438499  0.508400  1
  P  P186  1  0.827117  0.822104  0.564150  1
  P  P187  1  0.328240  0.145148  0.566863  1
  P  P188  1  0.328695  0.764700  0.510038  1
  P  P189  1  0.505370  0.759358  0.616757  1
  P  P190  1  0.505014  0.377509  0.562558  1
  P  P191  1  0.007508  0.204040  0.513027  1
  P  P192  1  0.006808  0.589784  0.568073  1
  P  P193  1  0.507970  0.978146  0.714185  1
  P  P194  1  0.504450  0.595200  0.661167  1
  P  P195  1  1.003338  0.894477  0.688571  1
  P  P196  1  0.007392  0.515097  0.635772  1
  P  P197  1  0.008352  0.709983  0.658562  1
  P  P198  1  0.007409  0.085276  0.713914  1
  P  P199  1  0.505382  0.782829  0.688025  1
  P  P200  1  0.507082  0.401300  0.634659  1
  P  P201  1  0.507574  0.948181  0.644804  1
  P  P202  1  0.503489  0.318969  0.707119  1
  P  P203  1  0.006927  0.168895  0.653473  1
  P  P204  1  0.008563  0.562572  0.711251  1
  P  P205  1  0.162198  0.031296  0.668662  1
  P  P206  1  0.175750  0.430901  0.721496  1
  P  P207  1  0.660637  0.081829  0.631349  1
  P  P208  1  0.652004  0.456478  0.686815  1
  P  P209  1  0.342783  0.653550  0.714906  1
  P  P210  1  0.349936  0.272318  0.656694  1
  P  P211  1  0.850675  0.845272  0.638122  1
  P  P212  1  0.846646  0.227812  0.695766  1
  P  P213  1  0.327112  0.716672  0.648915  1
  P  P214  1  0.326329  0.101182  0.707978  1
  P  P215  1  0.837909  0.769162  0.705766  1
  P  P216  1  0.829376  0.398915  0.646148  1
  P  P217  1  0.185008  0.205888  0.620111  1
  P  P218  1  0.178140  0.593926  0.670992  1
  P  P219  1  0.686009  0.902654  0.681924  1
  P  P220  1  0.683746  0.525574  0.621675  1
  P  P221  1  0.165710  0.844149  0.636275  1
  P  P222  1  0.164955  0.230040  0.693461  1
  P  P223  1  0.658072  0.649461  0.710955  1
  P  P224  1  0.661416  0.266842  0.660522  1
  P  P225  1  0.346123  0.072146  0.633582  1
  P  P226  1  0.355553  0.457523  0.685570  1
  P  P227  1  0.847681  0.035602  0.667504  1
  P  P228  1  0.833582  0.423488  0.719536  1
  P  P229  1  0.688569  0.722155  0.649211  1
  P  P230  1  0.680414  0.103102  0.705737  1
  P  P231  1  0.168731  0.770526  0.701267  1
  P  P232  1  0.180687  0.392057  0.647894  1
  P  P233  1  0.829066  0.202142  0.620994  1
  P  P234  1  0.824062  0.579620  0.673937  1
  P  P235  1  0.327751  0.904430  0.680213  1
  P  P236  1  0.325189  0.528463  0.621948  1
  P  P237  1  0.500322  0.526956  0.728683  1
  P  P238  1  0.502849  0.139311  0.672596  1
  P  P239  1  1.005248  0.974694  0.625500  1
  P  P240  1  1.003985  0.363154  0.684765  1
