# generated using pymatgen
data_Fe53P216
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.87826610
_cell_length_b   15.92262700
_cell_length_c   19.93495948
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.49098154
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe53P216
_chemical_formula_sum   'Fe53 P216'
_cell_volume   5872.17231433
_cell_formula_units_Z   1
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  0.033244  0.590369  0.278091  1
  Fe  Fe2  1  0.033634  0.590858  0.611276  1
  Fe  Fe3  1  0.033631  0.590551  0.944879  1
  Fe  Fe4  1  0.367195  0.591484  0.275112  1
  Fe  Fe5  1  0.367344  0.590070  0.608568  1
  Fe  Fe6  1  0.367229  0.590112  0.942403  1
  Fe  Fe7  1  0.700320  0.590067  0.281229  1
  Fe  Fe8  1  0.699963  0.590077  0.614420  1
  Fe  Fe9  1  0.700010  0.590170  0.947795  1
  Fe  Fe10  1  0.218100  0.096921  0.574401  1
  Fe  Fe11  1  0.217998  0.096679  0.909845  1
  Fe  Fe12  1  0.551058  0.096741  0.245354  1
  Fe  Fe13  1  0.551296  0.096664  0.579116  1
  Fe  Fe14  1  0.551080  0.096913  0.912198  1
  Fe  Fe15  1  0.884608  0.096854  0.245942  1
  Fe  Fe16  1  0.883991  0.096937  0.579236  1
  Fe  Fe17  1  0.884208  0.096809  0.912761  1
  Fe  Fe18  1  0.218926  0.905291  0.077599  1
  Fe  Fe19  1  0.219005  0.906368  0.405065  1
  Fe  Fe20  1  0.218248  0.903896  0.741722  1
  Fe  Fe21  1  0.550819  0.904082  0.078946  1
  Fe  Fe22  1  0.550598  0.903516  0.412584  1
  Fe  Fe23  1  0.550871  0.903797  0.745641  1
  Fe  Fe24  1  0.883443  0.903272  0.079093  1
  Fe  Fe25  1  0.883864  0.903383  0.412656  1
  Fe  Fe26  1  0.884008  0.903605  0.745918  1
  Fe  Fe27  1  0.034571  0.409716  0.111755  1
  Fe  Fe28  1  0.034841  0.409372  0.444170  1
  Fe  Fe29  1  0.033767  0.409775  0.778034  1
  Fe  Fe30  1  0.366785  0.409836  0.108984  1
  Fe  Fe31  1  0.362315  0.403411  0.436209  1
  Fe  Fe32  1  0.367310  0.409867  0.775618  1
  Fe  Fe33  1  0.699815  0.410480  0.114619  1
  Fe  Fe34  1  0.701425  0.410774  0.448437  1
  Fe  Fe35  1  0.700042  0.410398  0.781319  1
  Fe  Fe36  1  0.289251  0.757756  0.166830  1
  Fe  Fe37  1  0.289308  0.757006  0.498636  1
  Fe  Fe38  1  0.288939  0.756882  0.832457  1
  Fe  Fe39  1  0.620096  0.757586  0.170334  1
  Fe  Fe40  1  0.619813  0.756943  0.503537  1
  Fe  Fe41  1  0.620155  0.757197  0.837020  1
  Fe  Fe42  1  0.953551  0.756103  0.169443  1
  Fe  Fe43  1  0.954046  0.756794  0.503039  1
  Fe  Fe44  1  0.954351  0.756912  0.836299  1
  Fe  Fe45  1  0.288703  0.243411  0.000714  1
  Fe  Fe46  1  0.295591  0.255596  0.344053  1
  Fe  Fe47  1  0.288747  0.243702  0.666112  1
  Fe  Fe48  1  0.620627  0.243452  0.003746  1
  Fe  Fe49  1  0.619535  0.242783  0.336715  1
  Fe  Fe50  1  0.620261  0.243391  0.670242  1
  Fe  Fe51  1  0.955253  0.242752  0.003088  1
  Fe  Fe52  1  0.953263  0.243302  0.335893  1
  Fe  Fe53  1  0.954570  0.243700  0.669379  1
  P  P54  1  0.138611  0.499444  0.298960  1
  P  P55  1  0.138899  0.499469  0.632289  1
  P  P56  1  0.138749  0.499139  0.965517  1
  P  P57  1  0.472591  0.500745  0.296712  1
  P  P58  1  0.472559  0.499415  0.630931  1
  P  P59  1  0.472098  0.499112  0.963862  1
  P  P60  1  0.805176  0.498621  0.301705  1
  P  P61  1  0.805158  0.499040  0.635064  1
  P  P62  1  0.805275  0.499125  0.968423  1
  P  P63  1  0.107360  0.997006  0.213125  1
  P  P64  1  0.110475  0.001273  0.546960  1
  P  P65  1  0.110419  0.001144  0.880557  1
  P  P66  1  0.442127  0.003330  0.216613  1
  P  P67  1  0.443555  0.001456  0.550397  1
  P  P68  1  0.443462  0.001297  0.883578  1
  P  P69  1  0.776668  0.001238  0.217632  1
  P  P70  1  0.776548  0.000977  0.551153  1
  P  P71  1  0.776596  0.001096  0.884440  1
  P  P72  1  0.109387  0.997978  0.046932  1
  P  P73  1  0.109749  0.999877  0.380353  1
  P  P74  1  0.110409  0.999084  0.713698  1
  P  P75  1  0.443621  0.999868  0.050231  1
  P  P76  1  0.443181  0.999384  0.383851  1
  P  P77  1  0.443556  0.999630  0.716971  1
  P  P78  1  0.776454  0.999379  0.051011  1
  P  P79  1  0.776294  0.998966  0.384296  1
  P  P80  1  0.776612  0.999435  0.717819  1
  P  P81  1  0.139194  0.501626  0.132284  1
  P  P82  1  0.138658  0.502600  0.465666  1
  P  P83  1  0.138795  0.501344  0.798866  1
  P  P84  1  0.471967  0.501393  0.130225  1
  P  P85  1  0.470903  0.498939  0.463193  1
  P  P86  1  0.472153  0.501185  0.797298  1
  P  P87  1  0.805236  0.501050  0.135096  1
  P  P88  1  0.805692  0.501580  0.468581  1
  P  P89  1  0.805239  0.501432  0.801760  1
  P  P90  1  0.315372  0.501835  0.183249  1
  P  P91  1  0.315608  0.500443  0.515869  1
  P  P92  1  0.314867  0.500919  0.849944  1
  P  P93  1  0.647225  0.501034  0.189164  1
  P  P94  1  0.647067  0.500865  0.522375  1
  P  P95  1  0.647487  0.501038  0.855754  1
  P  P96  1  0.982015  0.500633  0.185603  1
  P  P97  1  0.982355  0.501252  0.518812  1
  P  P98  1  0.981803  0.501328  0.852225  1
  P  P99  1  0.264010  0.001055  0.324787  1
  P  P100  1  0.266337  0.998958  0.660383  1
  P  P101  1  0.266294  0.998849  0.994430  1
  P  P102  1  0.598480  0.998634  0.331107  1
  P  P103  1  0.599190  0.998992  0.664737  1
  P  P104  1  0.599061  0.999159  -0.002015  1
  P  P105  1  0.931652  0.998995  0.332246  1
  P  P106  1  0.931854  0.999325  0.665708  1
  P  P107  1  0.931659  0.999020  -0.001026  1
  P  P108  1  0.006875  0.154624  0.263405  1
  P  P109  1  0.005395  0.155391  0.595641  1
  P  P110  1  0.005783  0.155151  0.928880  1
  P  P111  1  0.336161  0.161238  0.260353  1
  P  P112  1  0.338702  0.157107  0.591135  1
  P  P113  1  0.338824  0.156640  0.925111  1
  P  P114  1  0.671638  0.156198  0.262333  1
  P  P115  1  0.671974  0.156337  0.595592  1
  P  P116  1  0.671993  0.156401  0.928953  1
  P  P117  1  0.245475  0.659820  0.250015  1
  P  P118  1  0.245874  0.659016  0.582843  1
  P  P119  1  0.245541  0.659016  0.916499  1
  P  P120  1  0.578655  0.660502  0.255684  1
  P  P121  1  0.578113  0.659875  0.588816  1
  P  P122  1  0.578158  0.659930  0.922079  1
  P  P123  1  0.911015  0.658023  0.252819  1
  P  P124  1  0.911406  0.658612  0.586197  1
  P  P125  1  0.911601  0.658778  0.919704  1
  P  P126  1  0.245165  0.340506  0.084762  1
  P  P127  1  0.241598  0.343697  0.418230  1
  P  P128  1  0.245618  0.341124  0.750626  1
  P  P129  1  0.578336  0.340811  0.088609  1
  P  P130  1  0.580440  0.339851  0.422792  1
  P  P131  1  0.578369  0.340602  0.755441  1
  P  P132  1  0.912463  0.341013  0.086321  1
  P  P133  1  0.911708  0.341670  0.419571  1
  P  P134  1  0.911635  0.341697  0.752820  1
  P  P135  1  0.004704  0.844397  0.095707  1
  P  P136  1  0.005258  0.845034  0.429195  1
  P  P137  1  0.005327  0.845040  0.762375  1
  P  P138  1  0.339259  0.844555  0.091636  1
  P  P139  1  0.338643  0.844884  0.423371  1
  P  P140  1  0.339006  0.843928  0.757548  1
  P  P141  1  0.671556  0.844375  0.095541  1
  P  P142  1  0.671284  0.843777  0.428757  1
  P  P143  1  0.671695  0.844187  0.762283  1
  P  P144  1  0.072167  0.323016  0.030775  1
  P  P145  1  0.071179  0.321495  0.362675  1
  P  P146  1  0.071911  0.323373  0.697114  1
  P  P147  1  0.405436  0.324593  0.028072  1
  P  P148  1  0.409848  0.326444  0.360701  1
  P  P149  1  0.405663  0.324435  0.694548  1
  P  P150  1  0.737886  0.324341  0.032720  1
  P  P151  1  0.737651  0.323799  0.365916  1
  P  P152  1  0.737492  0.324197  0.699357  1
  P  P153  1  0.173554  0.824372  0.152022  1
  P  P154  1  0.174709  0.825653  0.484136  1
  P  P155  1  0.174109  0.824682  0.818586  1
  P  P156  1  0.506168  0.826557  0.156225  1
  P  P157  1  0.505540  0.825503  0.489271  1
  P  P158  1  0.505992  0.825641  0.822550  1
  P  P159  1  0.839312  0.824332  0.155669  1
  P  P160  1  0.839359  0.824248  0.488957  1
  P  P161  1  0.839695  0.824455  0.822350  1
  P  P162  1  0.180183  0.177009  0.316355  1
  P  P163  1  0.174091  0.175499  0.651916  1
  P  P164  1  0.174159  0.174861  0.987821  1
  P  P165  1  0.505173  0.174134  0.321910  1
  P  P166  1  0.506065  0.174969  0.655645  1
  P  P167  1  0.506283  0.175221  0.988970  1
  P  P168  1  0.839491  0.175658  0.322200  1
  P  P169  1  0.839821  0.176140  0.655747  1
  P  P170  1  0.840145  0.175991  0.989245  1
  P  P171  1  0.071171  0.676785  0.197280  1
  P  P172  1  0.071881  0.677907  0.530745  1
  P  P173  1  0.071674  0.677180  0.864071  1
  P  P174  1  0.405898  0.676828  0.194516  1
  P  P175  1  0.405543  0.675216  0.527084  1
  P  P176  1  0.405442  0.675789  0.860983  1
  P  P177  1  0.737308  0.676198  0.199067  1
  P  P178  1  0.737219  0.676089  0.532446  1
  P  P179  1  0.737494  0.676342  0.865885  1
  P  P180  1  0.004332  0.158003  0.096106  1
  P  P181  1  0.001966  0.158521  0.429501  1
  P  P182  1  0.002828  0.158716  0.762324  1
  P  P183  1  0.337811  0.159362  0.092457  1
  P  P184  1  0.338606  0.159567  0.427007  1
  P  P185  1  0.336719  0.159251  0.758451  1
  P  P186  1  0.669918  0.158913  0.095890  1
  P  P187  1  0.669689  0.158199  0.428998  1
  P  P188  1  0.669588  0.158908  0.762575  1
  P  P189  1  0.245842  0.659911  0.083489  1
  P  P190  1  0.245197  0.659999  0.416395  1
  P  P191  1  0.245464  0.659272  0.749683  1
  P  P192  1  0.577923  0.660226  0.088493  1
  P  P193  1  0.577616  0.659448  0.421826  1
  P  P194  1  0.578147  0.659947  0.755086  1
  P  P195  1  0.911892  0.658915  0.086247  1
  P  P196  1  0.912426  0.659262  0.419700  1
  P  P197  1  0.912224  0.659469  0.753018  1
  P  P198  1  0.246518  0.343909  0.251522  1
  P  P199  1  0.245339  0.341231  0.584087  1
  P  P200  1  0.245305  0.340721  0.917688  1
  P  P201  1  0.577974  0.340615  0.255293  1
  P  P202  1  0.577786  0.340644  0.588419  1
  P  P203  1  0.578429  0.340646  0.921698  1
  P  P204  1  0.912410  0.340526  0.252638  1
  P  P205  1  0.912650  0.341053  0.586188  1
  P  P206  1  0.912592  0.340786  0.919767  1
  P  P207  1  0.002067  0.841389  0.262395  1
  P  P208  1  0.002505  0.841885  0.595905  1
  P  P209  1  0.002927  0.841753  0.929211  1
  P  P210  1  0.336522  0.842486  0.258460  1
  P  P211  1  0.336942  0.841161  0.590817  1
  P  P212  1  0.336867  0.841144  0.924873  1
  P  P213  1  0.669811  0.841866  0.262525  1
  P  P214  1  0.669390  0.841452  0.595829  1
  P  P215  1  0.669380  0.841682  0.929209  1
  P  P216  1  0.071689  0.677988  0.032692  1
  P  P217  1  0.071141  0.678110  0.365825  1
  P  P218  1  0.071505  0.678208  0.699286  1
  P  P219  1  0.405148  0.677239  0.030063  1
  P  P220  1  0.405295  0.677692  0.363238  1
  P  P221  1  0.405368  0.677121  0.696404  1
  P  P222  1  0.738284  0.677724  0.034944  1
  P  P223  1  0.738637  0.677538  0.368388  1
  P  P224  1  0.738476  0.677622  0.701605  1
  P  P225  1  0.177429  0.175854  0.151875  1
  P  P226  1  0.176385  0.177551  0.481365  1
  P  P227  1  0.176484  0.177772  0.817132  1
  P  P228  1  0.509957  0.177795  0.152929  1
  P  P229  1  0.510413  0.177467  0.486666  1
  P  P230  1  0.509341  0.177374  0.819769  1
  P  P231  1  0.843478  0.177697  0.153168  1
  P  P232  1  0.842640  0.177859  0.486472  1
  P  P233  1  0.842974  0.177871  0.819942  1
  P  P234  1  0.175846  0.822793  0.315453  1
  P  P235  1  0.176632  0.822542  0.649066  1
  P  P236  1  0.177017  0.822877  0.983486  1
  P  P237  1  0.508948  0.823502  0.319890  1
  P  P238  1  0.509220  0.823337  0.653240  1
  P  P239  1  0.509168  0.823391  0.986630  1
  P  P240  1  0.842839  0.822253  0.319844  1
  P  P241  1  0.842735  0.822565  0.653128  1
  P  P242  1  0.842602  0.822367  0.986342  1
  P  P243  1  0.073161  0.321589  0.198997  1
  P  P244  1  0.072081  0.322193  0.532080  1
  P  P245  1  0.071640  0.322364  0.865976  1
  P  P246  1  0.405338  0.323343  0.196801  1
  P  P247  1  0.404569  0.323563  0.528986  1
  P  P248  1  0.405336  0.323221  0.863723  1
  P  P249  1  0.738379  0.322654  0.201600  1
  P  P250  1  0.739059  0.322913  0.535491  1
  P  P251  1  0.738784  0.322934  0.868432  1
  P  P252  1  0.314601  0.499036  0.016681  1
  P  P253  1  0.315096  0.500881  0.350006  1
  P  P254  1  0.315109  0.499227  0.683074  1
  P  P255  1  0.647475  0.499699  0.022469  1
  P  P256  1  0.647812  0.499512  0.355921  1
  P  P257  1  0.647614  0.499531  0.689126  1
  P  P258  1  0.982021  0.498893  0.019039  1
  P  P259  1  0.981852  0.498522  0.352176  1
  P  P260  1  0.981850  0.499187  0.685519  1
  P  P261  1  0.264693  0.002020  0.159612  1
  P  P262  1  0.266334  0.001727  0.493110  1
  P  P263  1  0.266107  0.001612  0.827561  1
  P  P264  1  0.599003  0.001792  0.164699  1
  P  P265  1  0.599096  0.001238  0.498052  1
  P  P266  1  0.599115  0.001593  0.831357  1
  P  P267  1  0.932011  0.001172  0.165530  1
  P  P268  1  0.931673  0.001040  0.499028  1
  P  P269  1  0.931947  0.001197  0.832375  1
