# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36425919
_cell_length_b   19.14239586
_cell_length_c   52.80968604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.31744810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe40 P160'
_cell_volume   9465.69457655
_cell_formula_units_Z   40
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  0.654726  0.686313  0.339521  1
  Fe  Fe2  1  0.145154  0.933716  0.336840  1
  Fe  Fe3  1  0.900728  0.938572  0.300733  1
  Fe  Fe4  1  0.378562  0.818204  0.337766  1
  Fe  Fe5  1  0.649769  0.310164  0.299793  1
  Fe  Fe6  1  0.153969  0.557641  0.298705  1
  Fe  Fe7  1  0.883770  0.312316  0.335921  1
  Fe  Fe8  1  0.376952  0.445146  0.298601  1
  Fe  Fe9  1  0.650520  0.437061  0.431330  1
  Fe  Fe10  1  0.150537  0.684368  0.430250  1
  Fe  Fe11  1  0.875587  0.686105  0.381580  1
  Fe  Fe12  1  0.375168  0.569578  0.430132  1
  Fe  Fe13  1  0.650635  0.062408  0.385686  1
  Fe  Fe14  1  0.152574  0.309359  0.384155  1
  Fe  Fe15  1  0.874250  0.061839  0.427217  1
  Fe  Fe16  1  0.375929  0.194082  0.384196  1
  Fe  Fe17  1  0.646802  0.186871  0.522286  1
  Fe  Fe18  1  0.146958  0.434218  0.521314  1
  Fe  Fe19  1  0.872804  0.437398  0.473173  1
  Fe  Fe20  1  0.371412  0.319309  0.520999  1
  Fe  Fe21  1  0.648465  0.811862  0.476647  1
  Fe  Fe22  1  0.148924  0.059244  0.475691  1
  Fe  Fe23  1  0.870967  0.812333  0.518372  1
  Fe  Fe24  1  0.373153  0.944221  0.475597  1
  Fe  Fe25  1  0.646333  0.936498  0.613854  1
  Fe  Fe26  1  0.144499  0.184533  0.612515  1
  Fe  Fe27  1  0.869471  0.187054  0.563976  1
  Fe  Fe28  1  0.369133  0.069756  0.612057  1
  Fe  Fe29  1  0.644752  0.561939  0.567830  1
  Fe  Fe30  1  0.145422  0.809157  0.566735  1
  Fe  Fe31  1  0.866179  0.562299  0.610040  1
  Fe  Fe32  1  0.369096  0.693882  0.566426  1
  Fe  Fe33  1  0.631476  0.688134  0.697714  1
  Fe  Fe34  1  0.128337  0.933987  0.695032  1
  Fe  Fe35  1  0.878395  0.937431  0.657926  1
  Fe  Fe36  1  0.358095  0.822418  0.697126  1
  Fe  Fe37  1  0.635641  0.312286  0.659224  1
  Fe  Fe38  1  0.141201  0.560006  0.658846  1
  Fe  Fe39  1  0.870349  0.312072  0.695782  1
  Fe  Fe40  1  0.365892  0.444533  0.658190  1
  P  P41  1  0.897570  0.817224  0.292921  1
  P  P42  1  0.391347  0.064706  0.294452  1
  P  P43  1  0.885401  0.938292  0.342074  1
  P  P44  1  0.400665  0.941107  0.338418  1
  P  P45  1  0.897800  0.059096  0.293729  1
  P  P46  1  0.145322  0.061369  0.338024  1
  P  P47  1  0.642382  0.065697  0.339247  1
  P  P48  1  0.390141  0.686794  0.337681  1
  P  P49  1  0.645821  0.812674  0.338694  1
  P  P50  1  0.642502  0.190175  0.293180  1
  P  P51  1  0.392651  0.812539  0.294077  1
  P  P52  1  0.143115  0.187216  0.294701  1
  P  P53  1  0.151665  0.937738  0.291699  1
  P  P54  1  0.900173  0.685365  0.336963  1
  P  P55  1  0.645926  0.938512  0.293074  1
  P  P56  1  0.132338  0.810061  0.338443  1
  P  P57  1  0.890781  0.189677  0.338370  1
  P  P58  1  0.390169  0.438345  0.339925  1
  P  P59  1  0.896476  0.563427  0.292476  1
  P  P60  1  0.402491  0.564017  0.291001  1
  P  P61  1  0.894652  0.435402  0.337572  1
  P  P62  1  0.148755  0.683080  0.291497  1
  P  P63  1  0.645330  0.691594  0.293812  1
  P  P64  1  0.392551  0.315722  0.291172  1
  P  P65  1  0.642407  0.434599  0.292593  1
  P  P66  1  0.641584  0.562681  0.338059  1
  P  P67  1  0.392058  0.189355  0.339338  1
  P  P68  1  0.141251  0.562034  0.340219  1
  P  P69  1  0.147131  0.312951  0.337935  1
  P  P70  1  0.895489  0.309373  0.290353  1
  P  P71  1  0.629113  0.314387  0.341085  1
  P  P72  1  0.135126  0.436640  0.290973  1
  P  P73  1  0.884553  0.564609  0.383863  1
  P  P74  1  0.387653  0.813084  0.382779  1
  P  P75  1  0.885245  0.688913  0.429226  1
  P  P76  1  0.396583  0.691925  0.430673  1
  P  P77  1  0.889697  0.809170  0.384195  1
  P  P78  1  0.140477  0.811483  0.428835  1
  P  P79  1  0.638650  0.814802  0.430407  1
  P  P80  1  0.385159  0.439312  0.429412  1
  P  P81  1  0.642221  0.563320  0.430257  1
  P  P82  1  0.634948  0.938549  0.385130  1
  P  P83  1  0.392750  0.563684  0.385362  1
  P  P84  1  0.144209  0.936305  0.383256  1
  P  P85  1  0.143822  0.687243  0.384377  1
  P  P86  1  0.896476  0.435246  0.428688  1
  P  P87  1  0.628001  0.688473  0.384246  1
  P  P88  1  0.126252  0.561747  0.429232  1
  P  P89  1  0.886191  0.939609  0.428905  1
  P  P90  1  0.385073  0.188379  0.429037  1
  P  P91  1  0.888569  0.314280  0.383468  1
  P  P92  1  0.396392  0.316429  0.385928  1
  P  P93  1  0.888890  0.185515  0.429546  1
  P  P94  1  0.139347  0.436092  0.383448  1
  P  P95  1  0.643516  0.440624  0.385226  1
  P  P96  1  0.386833  0.064189  0.383572  1
  P  P97  1  0.643367  0.188103  0.384491  1
  P  P98  1  0.639480  0.313454  0.430306  1
  P  P99  1  0.387650  0.938241  0.430773  1
  P  P100  1  0.137331  0.311452  0.429549  1
  P  P101  1  0.142032  0.062143  0.429685  1
  P  P102  1  0.898131  0.061608  0.383049  1
  P  P103  1  0.625900  0.063982  0.430206  1
  P  P104  1  0.128804  0.187205  0.383679  1
  P  P105  1  0.883809  0.314764  0.475194  1
  P  P106  1  0.383344  0.563721  0.474611  1
  P  P107  1  0.881696  0.439116  0.520515  1
  P  P108  1  0.392711  0.441679  0.521842  1
  P  P109  1  0.887279  0.560576  0.475177  1
  P  P110  1  0.135720  0.561211  0.520133  1
  P  P111  1  0.635782  0.564994  0.521648  1
  P  P112  1  0.381815  0.189115  0.520467  1
  P  P113  1  0.638588  0.313057  0.521138  1
  P  P114  1  0.636448  0.688419  0.475879  1
  P  P115  1  0.386926  0.313453  0.476194  1
  P  P116  1  0.136262  0.686695  0.475078  1
  P  P117  1  0.140119  0.437291  0.475402  1
  P  P118  1  0.892662  0.185143  0.519586  1
  P  P119  1  0.624551  0.438979  0.475794  1
  P  P120  1  0.122687  0.311772  0.520614  1
  P  P121  1  0.881383  0.689817  0.520608  1
  P  P122  1  0.381782  0.938595  0.520218  1
  P  P123  1  0.883816  0.063982  0.474648  1
  P  P124  1  0.394332  0.066591  0.476330  1
  P  P125  1  0.885474  0.935543  0.520533  1
  P  P126  1  0.137826  0.186276  0.474607  1
  P  P127  1  0.637669  0.190046  0.476025  1
  P  P128  1  0.383357  0.814017  0.475008  1
  P  P129  1  0.640468  0.937976  0.475369  1
  P  P130  1  0.635110  0.063327  0.521278  1
  P  P131  1  0.385403  0.688331  0.521823  1
  P  P132  1  0.134480  0.061436  0.520691  1
  P  P133  1  0.138380  0.812441  0.520893  1
  P  P134  1  0.894419  0.810303  0.473845  1
  P  P135  1  0.622741  0.814044  0.521276  1
  P  P136  1  0.124328  0.936687  0.474860  1
  P  P137  1  0.879627  0.064548  0.566152  1
  P  P138  1  0.380541  0.313696  0.565639  1
  P  P139  1  0.878360  0.188942  0.611334  1
  P  P140  1  0.389602  0.191544  0.613230  1
  P  P141  1  0.882805  0.310570  0.566499  1
  P  P142  1  0.135104  0.311393  0.611202  1
  P  P143  1  0.629098  0.315511  0.612908  1
  P  P144  1  0.382477  0.939338  0.610969  1
  P  P145  1  0.636022  0.062614  0.612475  1
  P  P146  1  0.632491  0.438370  0.567089  1
  P  P147  1  0.384497  0.063925  0.567204  1
  P  P148  1  0.132900  0.436618  0.566307  1
  P  P149  1  0.136798  0.187638  0.566432  1
  P  P150  1  0.887936  0.935316  0.611339  1
  P  P151  1  0.621112  0.189019  0.566914  1
  P  P152  1  0.120087  0.062785  0.611080  1
  P  P153  1  0.878111  0.440201  0.611904  1
  P  P154  1  0.375309  0.687653  0.610945  1
  P  P155  1  0.880562  0.814318  0.565770  1
  P  P156  1  0.391148  0.816347  0.567549  1
  P  P157  1  0.883887  0.685130  0.611728  1
  P  P158  1  0.133776  0.936218  0.566009  1
  P  P159  1  0.635560  0.940104  0.567040  1
  P  P160  1  0.379238  0.563653  0.566119  1
  P  P161  1  0.636617  0.687913  0.566833  1
  P  P162  1  0.636113  0.813799  0.612213  1
  P  P163  1  0.380316  0.438758  0.613322  1
  P  P164  1  0.128651  0.810379  0.611677  1
  P  P165  1  0.133626  0.562633  0.612575  1
  P  P166  1  0.890730  0.560056  0.565302  1
  P  P167  1  0.618723  0.563462  0.612432  1
  P  P168  1  0.120658  0.686362  0.565785  1
  P  P169  1  0.877049  0.814402  0.658213  1
  P  P170  1  0.377257  0.062079  0.656895  1
  P  P171  1  0.874527  0.939762  0.704201  1
  P  P172  1  0.378175  0.940871  0.705882  1
  P  P173  1  0.880318  0.060998  0.657252  1
  P  P174  1  0.123990  0.057966  0.702438  1
  P  P175  1  0.631359  0.064747  0.701525  1
  P  P176  1  0.373706  0.693005  0.704138  1
  P  P177  1  0.624279  0.813249  0.703995  1
  P  P178  1  0.629511  0.188163  0.657868  1
  P  P179  1  0.381376  0.812635  0.655984  1
  P  P180  1  0.129576  0.185608  0.657474  1
  P  P181  1  0.136789  0.938226  0.653890  1
  P  P182  1  0.875550  0.685409  0.704029  1
  P  P183  1  0.620560  0.938521  0.658536  1
  P  P184  1  0.116468  0.815132  0.704259  1
  P  P185  1  0.875163  0.191196  0.703046  1
  P  P186  1  0.376679  0.438161  0.702179  1
  P  P187  1  0.876477  0.564494  0.657689  1
  P  P188  1  0.385064  0.567912  0.658754  1
  P  P189  1  0.873942  0.433932  0.702996  1
  P  P190  1  0.126563  0.687342  0.658385  1
  P  P191  1  0.630834  0.690306  0.656115  1
  P  P192  1  0.374013  0.313758  0.657968  1
  P  P193  1  0.631625  0.438886  0.657898  1
  P  P194  1  0.623066  0.565546  0.704269  1
  P  P195  1  0.380038  0.185862  0.701150  1
  P  P196  1  0.129071  0.560603  0.703290  1
  P  P197  1  0.125324  0.312448  0.703290  1
  P  P198  1  0.887646  0.310245  0.654285  1
  P  P199  1  0.619769  0.312699  0.704458  1
  P  P200  1  0.117482  0.437206  0.657435  1
