# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.20598915
_cell_length_b   15.21234236
_cell_length_c   45.73970033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.82148842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   11631.2928388
_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  0.229679  0.038219  0.389284  1
  Fe  Fe2  1  0.296770  0.280039  0.307286  1
  Fe  Fe3  1  0.768622  0.057873  0.341814  1
  Fe  Fe4  1  0.785299  0.477689  0.319453  1
  Fe  Fe5  1  0.553780  0.356494  0.374000  1
  Fe  Fe6  1  0.572750  0.775652  0.347420  1
  Fe  Fe7  1  0.127454  0.965732  0.319515  1
  Fe  Fe8  1  0.082264  0.578132  0.343704  1
  Fe  Fe9  1  0.466354  0.157798  0.291694  1
  Fe  Fe10  1  0.401671  0.909815  0.367943  1
  Fe  Fe11  1  0.973543  0.647155  0.297024  1
  Fe  Fe12  1  0.900916  0.403658  0.367810  1
  Fe  Fe13  1  0.141226  0.380377  0.498229  1
  Fe  Fe14  1  0.208881  0.620744  0.416367  1
  Fe  Fe15  1  0.681958  0.401977  0.449416  1
  Fe  Fe16  1  0.703064  0.817717  0.421708  1
  Fe  Fe17  1  0.464430  0.700942  0.483509  1
  Fe  Fe18  1  0.487057  0.115215  0.456815  1
  Fe  Fe19  1  0.012733  0.333905  0.422893  1
  Fe  Fe20  1  0.992473  0.918811  0.450639  1
  Fe  Fe21  1  0.381715  0.485614  0.395268  1
  Fe  Fe22  1  0.314280  0.249347  0.477673  1
  Fe  Fe23  1  0.881883  0.986735  0.395989  1
  Fe  Fe24  1  0.813729  0.748849  0.477129  1
  Fe  Fe25  1  0.053637  0.724616  0.608044  1
  Fe  Fe26  1  0.119650  0.965417  0.525574  1
  Fe  Fe27  1  0.592124  0.746980  0.558564  1
  Fe  Fe28  1  0.614996  0.161707  0.531519  1
  Fe  Fe29  1  0.375199  0.043759  0.593640  1
  Fe  Fe30  1  0.399333  0.458328  0.565953  1
  Fe  Fe31  1  0.924483  0.678987  0.532144  1
  Fe  Fe32  1  0.903801  0.262556  0.559558  1
  Fe  Fe33  1  0.291971  0.831529  0.504504  1
  Fe  Fe34  1  0.226238  0.593247  0.586746  1
  Fe  Fe35  1  0.792892  0.331390  0.504445  1
  Fe  Fe36  1  0.725674  0.093099  0.586446  1
  Fe  Fe37  1  0.971614  0.058689  0.708252  1
  Fe  Fe38  1  0.031112  0.308217  0.635310  1
  Fe  Fe39  1  0.497929  0.095689  0.666507  1
  Fe  Fe40  1  0.526637  0.503573  0.639496  1
  Fe  Fe41  1  0.296678  0.382908  0.694047  1
  Fe  Fe42  1  0.310566  0.799634  0.674741  1
  Fe  Fe43  1  0.837728  0.020467  0.640940  1
  Fe  Fe44  1  0.811994  0.611153  0.663189  1
  Fe  Fe45  1  0.202103  0.174894  0.614961  1
  Fe  Fe46  1  0.138469  0.922967  0.690962  1
  Fe  Fe47  1  0.703294  0.676859  0.611672  1
  Fe  Fe48  1  0.633028  0.452433  0.689547  1
  P  P49  1  0.215455  0.671946  0.298552  1
  P  P50  1  0.189518  0.265246  0.325051  1
  P  P51  1  0.706500  0.205365  0.305812  1
  P  P52  1  0.637816  0.961096  0.385384  1
  P  P53  1  0.661195  0.374639  0.359605  1
  P  P54  1  0.682047  0.788323  0.331294  1
  P  P55  1  0.170376  0.838579  0.352456  1
  P  P56  1  0.218738  0.103119  0.274380  1
  P  P57  1  0.252433  0.289894  0.257377  1
  P  P58  1  0.177339  0.056168  0.339383  1
  P  P59  1  0.652851  0.164799  0.371332  1
  P  P60  1  0.672927  0.580023  0.344152  1
  P  P61  1  0.836605  0.327107  0.342925  1
  P  P62  1  0.813691  0.917162  0.374155  1
  P  P63  1  0.378061  0.339272  0.287034  1
  P  P64  1  0.313668  0.089581  0.371043  1
  P  P65  1  0.038803  0.720822  0.307563  1
  P  P66  1  0.969090  0.474102  0.389189  1
  P  P67  1  0.490370  0.724512  0.364311  1
  P  P68  1  0.560545  0.971569  0.282355  1
  P  P69  1  0.049519  0.925168  0.292303  1
  P  P70  1  0.021745  0.501283  0.323427  1
  P  P71  1  0.565342  0.180935  0.269572  1
  P  P72  1  0.495933  0.952019  0.351088  1
  P  P73  1  0.828889  0.131276  0.362274  1
  P  P74  1  0.849397  0.549285  0.331659  1
  P  P75  1  0.309478  0.862113  0.383680  1
  P  P76  1  0.376568  0.100898  0.300876  1
  P  P77  1  0.791472  0.507204  0.400261  1
  P  P78  1  0.858101  0.757556  0.318631  1
  P  P79  1  0.338623  0.490530  0.345966  1
  P  P80  1  0.358236  0.906356  0.318625  1
  P  P81  1  0.992254  0.882820  0.363504  1
  P  P82  1  0.010744  0.295346  0.333741  1
  P  P83  1  0.542175  0.552166  0.311764  1
  P  P84  1  0.510733  0.152233  0.336923  1
  P  P85  1  0.353766  0.691467  0.329319  1
  P  P86  1  0.328664  0.287712  0.356398  1
  P  P87  1  0.871510  0.962970  0.307471  1
  P  P88  1  0.804224  0.711451  0.388361  1
  P  P89  1  0.518970  0.357784  0.324399  1
  P  P90  1  0.542894  0.769937  0.298122  1
  P  P91  1  0.004320  0.084281  0.346941  1
  P  P92  1  0.072319  0.352933  0.268745  1
  P  P93  1  0.194891  0.472011  0.309599  1
  P  P94  1  0.224881  0.881343  0.283847  1
  P  P95  1  0.694409  0.998815  0.315952  1
  P  P96  1  0.625792  0.754997  0.397162  1
  P  P97  1  0.123756  0.017873  0.405283  1
  P  P98  1  0.101028  0.605278  0.433226  1
  P  P99  1  0.615259  0.546943  0.413557  1
  P  P100  1  0.549520  0.303936  0.494892  1
  P  P101  1  0.570727  0.719775  0.467444  1
  P  P102  1  0.595381  0.130478  0.440808  1
  P  P103  1  0.078309  0.191100  0.459008  1
  P  P104  1  0.145646  0.434156  0.379140  1
  P  P105  1  0.158269  0.636735  0.366422  1
  P  P106  1  0.089554  0.397250  0.448141  1
  P  P107  1  0.564452  0.507967  0.479950  1
  P  P108  1  0.586346  0.922176  0.452531  1
  P  P109  1  0.746998  0.677964  0.454856  1
  P  P110  1  0.724518  0.262113  0.483024  1
  P  P111  1  0.293724  0.668569  0.399544  1
  P  P112  1  0.225431  0.430949  0.480665  1
  P  P113  1  0.949019  0.057948  0.417579  1
  P  P114  1  0.882240  0.818490  0.498882  1
  P  P115  1  0.403559  0.065746  0.473992  1
  P  P116  1  0.470554  0.305570  0.393117  1
  P  P117  1  0.955685  0.258748  0.400569  1
  P  P118  1  0.933859  0.843526  0.430858  1
  P  P119  1  0.473736  0.531982  0.378835  1
  P  P120  1  0.408554  0.291377  0.461282  1
  P  P121  1  0.738872  0.477496  0.470425  1
  P  P122  1  0.761385  0.892904  0.442451  1
  P  P123  1  0.221539  0.204673  0.493681  1
  P  P124  1  0.287703  0.444235  0.412650  1
  P  P125  1  0.703094  0.852558  0.508956  1
  P  P126  1  0.771264  0.097015  0.427504  1
  P  P127  1  0.249122  0.838235  0.454554  1
  P  P128  1  0.271182  0.247303  0.428012  1
  P  P129  1  0.903392  0.228024  0.472511  1
  P  P130  1  0.923897  0.638938  0.445510  1
  P  P131  1  0.444932  0.900676  0.418016  1
  P  P132  1  0.424736  0.488553  0.445077  1
  P  P133  1  0.263234  0.038365  0.438136  1
  P  P134  1  0.243207  0.626848  0.465727  1
  P  P135  1  0.783400  0.303101  0.416223  1
  P  P136  1  0.716459  0.056841  0.498483  1
  P  P137  1  0.430665  0.700541  0.434343  1
  P  P138  1  0.452512  0.110304  0.407464  1
  P  P139  1  0.912347  0.432295  0.456123  1
  P  P140  1  0.979559  0.680716  0.376747  1
  P  P141  1  0.109104  0.813438  0.420489  1
  P  P142  1  0.129033  0.230804  0.392231  1
  P  P143  1  0.605268  0.339335  0.424749  1
  P  P144  1  0.538279  0.097620  0.506864  1
  P  P145  1  0.034854  0.361656  0.514453  1
  P  P146  1  0.011753  0.950097  0.541618  1
  P  P147  1  0.526577  0.890641  0.522577  1
  P  P148  1  0.461209  0.646206  0.602958  1
  P  P149  1  0.481593  0.062726  0.577041  1
  P  P150  1  0.507086  0.473904  0.549489  1
  P  P151  1  0.989829  0.535177  0.568433  1
  P  P152  1  0.057942  0.776454  0.487568  1
  P  P153  1  0.068438  0.983040  0.475489  1
  P  P154  1  0.001737  0.741277  0.557264  1
  P  P155  1  0.475346  0.851606  0.589559  1
  P  P156  1  0.498626  0.265094  0.562201  1
  P  P157  1  0.658727  0.022298  0.564493  1
  P  P158  1  0.636131  0.606117  0.591292  1
  P  P159  1  0.202226  0.015786  0.508185  1
  P  P160  1  0.137320  0.773980  0.588791  1
  P  P161  1  0.859462  0.402312  0.526492  1
  P  P162  1  0.793967  0.162250  0.608028  1
  P  P163  1  0.315198  0.409278  0.582965  1
  P  P164  1  0.381578  0.648659  0.501563  1
  P  P165  1  0.867518  0.603128  0.510997  1
  P  P166  1  0.845521  0.186996  0.539307  1
  P  P167  1  0.383886  0.876692  0.488416  1
  P  P168  1  0.320328  0.634682  0.569617  1
  P  P169  1  0.649968  0.822226  0.579073  1
  P  P170  1  0.673234  0.237276  0.551824  1
  P  P171  1  0.132297  0.549675  0.602293  1
  P  P172  1  0.198618  0.789004  0.521045  1
  P  P173  1  0.615854  0.196179  0.619121  1
  P  P174  1  0.682788  0.441069  0.536109  1
  P  P175  1  0.159547  0.181725  0.564551  1
  P  P176  1  0.183382  0.590604  0.536961  1
  P  P177  1  0.814928  0.572324  0.580586  1
  P  P178  1  0.836198  0.983366  0.554820  1
  P  P179  1  0.357083  0.242132  0.527642  1
  P  P180  1  0.334881  0.833476  0.554203  1
  P  P181  1  0.174917  0.380834  0.547549  1
  P  P182  1  0.153793  0.971640  0.574909  1
  P  P183  1  0.693434  0.648164  0.524780  1
  P  P184  1  0.628409  0.400201  0.607055  1
  P  P185  1  0.341449  0.043294  0.544155  1
  P  P186  1  0.365053  0.451580  0.516704  1
  P  P187  1  0.823746  0.777986  0.565251  1
  P  P188  1  0.890960  0.023451  0.483796  1
  P  P189  1  0.020031  0.158983  0.529352  1
  P  P190  1  0.042095  0.572948  0.501983  1
  P  P191  1  0.515988  0.683700  0.533569  1
  P  P192  1  0.450447  0.440429  0.616125  1
  P  P193  1  0.946750  0.706399  0.623192  1
  P  P194  1  0.923110  0.294821  0.652770  1
  P  P195  1  0.439475  0.234442  0.631492  1
  P  P196  1  0.379065  0.985359  0.709116  1
  P  P197  1  0.391898  0.410450  0.686295  1
  P  P198  1  0.417157  0.818235  0.657430  1
  P  P199  1  0.904651  0.877129  0.677284  1
  P  P200  1  0.969401  0.120653  0.596603  1
  P  P201  1  0.978803  0.327200  0.585450  1
  P  P202  1  0.914845  0.084407  0.665107  1
  P  P203  1  0.382277  0.200248  0.700165  1
  P  P204  1  0.411255  0.609014  0.670661  1
  P  P205  1  0.573143  0.362565  0.674644  1
  P  P206  1  0.553664  0.952474  0.701153  1
  P  P207  1  0.112509  0.359458  0.617622  1
  P  P208  1  0.049598  0.115332  0.702305  1
  P  P209  1  0.770413  0.749586  0.634858  1
  P  P210  1  0.711996  0.503806  0.714388  1
  P  P211  1  0.231019  0.738819  0.695282  1
  P  P212  1  0.290778  0.994147  0.611623  1
  P  P213  1  0.779634  0.947465  0.620248  1
  P  P214  1  0.756861  0.531365  0.646953  1
  P  P215  1  0.294683  0.219433  0.597821  1
  P  P216  1  0.230149  0.977289  0.681224  1
  P  P217  1  0.561474  0.160031  0.690286  1
  P  P218  1  0.582947  0.587190  0.658325  1
  P  P219  1  0.045377  0.886307  0.715234  1
  P  P220  1  0.108139  0.131290  0.632175  1
  P  P221  1  0.537649  0.535833  0.725768  1
  P  P222  1  0.594924  0.788170  0.645778  1
  P  P223  1  0.067614  0.527725  0.670998  1
  P  P224  1  0.098626  0.925293  0.645125  1
  P  P225  1  0.729050  0.912856  0.687882  1
  P  P226  1  0.747863  0.325982  0.664505  1
  P  P227  1  0.269190  0.589329  0.636028  1
  P  P228  1  0.244567  0.179482  0.664221  1
  P  P229  1  0.090414  0.720363  0.657692  1
  P  P230  1  0.061099  0.318465  0.684591  1
  P  P231  1  0.604787  0.993475  0.633561  1
  P  P232  1  0.541716  0.745725  0.713024  1
  P  P233  1  0.251109  0.389171  0.650583  1
  P  P234  1  0.278379  0.793752  0.625474  1
  P  P235  1  0.738499  0.118157  0.675178  1
  P  P236  1  0.802925  0.366451  0.592989  1
  P  P237  1  0.930403  0.504655  0.639037  1
  P  P238  1  0.955058  0.915695  0.611015  1
  P  P239  1  0.426527  0.029079  0.643596  1
  P  P240  1  0.361488  0.784034  0.723750  1
