# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38211630
_cell_length_b   10.70055648
_cell_length_c   47.33769036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V66 Fe66'
_cell_volume   3905.63610715
_cell_formula_units_Z   66
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
  V  V1  1  0.269253  0.120089  0.314484  1
  V  V2  1  0.769253  0.120089  0.314484  1
  V  V3  1  0.700736  0.483074  0.301897  1
  V  V4  1  0.136615  0.854853  0.289627  1
  V  V5  1  0.200736  0.483074  0.301897  1
  V  V6  1  0.636615  0.854853  0.289627  1
  V  V7  1  0.974290  0.030214  0.354051  1
  V  V8  1  0.474290  0.030214  0.354051  1
  V  V9  1  0.406298  0.394237  0.340724  1
  V  V10  1  0.837621  0.756881  0.326843  1
  V  V11  1  0.906298  0.394237  0.340724  1
  V  V12  1  0.337621  0.756881  0.326843  1
  V  V13  1  0.678962  0.939582  0.394401  1
  V  V14  1  0.178962  0.939582  0.394401  1
  V  V15  1  0.110730  0.303113  0.381038  1
  V  V16  1  0.542690  0.667027  0.367270  1
  V  V17  1  0.610730  0.303113  0.381038  1
  V  V18  1  0.042690  0.667027  0.367270  1
  V  V19  1  0.383437  0.848554  0.434432  1
  V  V20  1  0.883437  0.848554  0.434432  1
  V  V21  1  0.815276  0.212226  0.421059  1
  V  V22  1  0.247138  0.575939  0.407657  1
  V  V23  1  0.315276  0.212226  0.421059  1
  V  V24  1  0.747138  0.575939  0.407657  1
  V  V25  1  0.087976  0.757651  0.474552  1
  V  V26  1  0.587976  0.757651  0.474552  1
  V  V27  1  0.519805  0.121304  0.461178  1
  V  V28  1  0.951650  0.484986  0.447811  1
  V  V29  1  0.019805  0.121304  0.461178  1
  V  V30  1  0.451650  0.484986  0.447811  1
  V  V31  1  0.792507  0.666735  0.514699  1
  V  V32  1  0.292507  0.666735  0.514699  1
  V  V33  1  0.224338  0.030391  0.501330  1
  V  V34  1  0.656170  0.394047  0.487962  1
  V  V35  1  0.724338  0.030391  0.501330  1
  V  V36  1  0.156170  0.394047  0.487962  1
  V  V37  1  0.497027  0.575796  0.554850  1
  V  V38  1  0.997027  0.575796  0.554850  1
  V  V39  1  0.928872  0.939478  0.541483  1
  V  V40  1  0.360701  0.303131  0.528109  1
  V  V41  1  0.428872  0.939478  0.541483  1
  V  V42  1  0.860701  0.303131  0.528109  1
  V  V43  1  0.201539  0.484844  0.595004  1
  V  V44  1  0.701539  0.484844  0.595004  1
  V  V45  1  0.633401  0.848557  0.581602  1
  V  V46  1  0.065240  0.212228  0.568229  1
  V  V47  1  0.133401  0.848557  0.581602  1
  V  V48  1  0.565240  0.212228  0.568229  1
  V  V49  1  0.905987  0.393756  0.635391  1
  V  V50  1  0.405987  0.393756  0.635391  1
  V  V51  1  0.337947  0.757669  0.621622  1
  V  V52  1  0.769715  0.121201  0.608260  1
  V  V53  1  0.837947  0.757669  0.621622  1
  V  V54  1  0.269715  0.121201  0.608260  1
  V  V55  1  0.611056  0.303901  0.675818  1
  V  V56  1  0.111056  0.303901  0.675818  1
  V  V57  1  0.042379  0.666545  0.661937  1
  V  V58  1  0.474387  0.030569  0.648610  1
  V  V59  1  0.542379  0.666545  0.661937  1
  V  V60  1  0.974387  0.030569  0.648610  1
  V  V61  1  0.312062  0.205929  0.713034  1
  V  V62  1  0.812062  0.205929  0.713034  1
  V  V63  1  0.747941  0.577708  0.700764  1
  V  V64  1  0.179424  0.940693  0.688177  1
  V  V65  1  0.247941  0.577708  0.700764  1
  V  V66  1  0.679424  0.940693  0.688177  1
  Fe  Fe67  1  0.950908  0.983383  0.302244  1
  Fe  Fe68  1  0.450908  0.983383  0.302244  1
  Fe  Fe69  1  0.384806  0.351327  0.290450  1
  Fe  Fe70  1  0.519584  0.620803  0.314523  1
  Fe  Fe71  1  0.884806  0.351327  0.290450  1
  Fe  Fe72  1  0.019584  0.620803  0.314523  1
  Fe  Fe73  1  0.656441  0.894524  0.341011  1
  Fe  Fe74  1  0.156441  0.894524  0.341011  1
  Fe  Fe75  1  0.088121  0.257878  0.327646  1
  Fe  Fe76  1  0.224258  0.530154  0.354065  1
  Fe  Fe77  1  0.588121  0.257878  0.327646  1
  Fe  Fe78  1  0.724258  0.530154  0.354065  1
  Fe  Fe79  1  0.360609  0.802868  0.380860  1
  Fe  Fe80  1  0.860609  0.802868  0.380860  1
  Fe  Fe81  1  0.792632  0.166904  0.367363  1
  Fe  Fe82  1  0.929027  0.439714  0.394337  1
  Fe  Fe83  1  0.292632  0.166904  0.367363  1
  Fe  Fe84  1  0.429027  0.439714  0.394337  1
  Fe  Fe85  1  0.065276  0.712222  0.420972  1
  Fe  Fe86  1  0.565276  0.712222  0.420972  1
  Fe  Fe87  1  0.497056  0.075775  0.407662  1
  Fe  Fe88  1  0.633490  0.348661  0.434454  1
  Fe  Fe89  1  0.997056  0.075775  0.407662  1
  Fe  Fe90  1  0.133490  0.348661  0.434454  1
  Fe  Fe91  1  0.769816  0.621324  0.461172  1
  Fe  Fe92  1  0.269816  0.621324  0.461172  1
  Fe  Fe93  1  0.201621  0.984929  0.447833  1
  Fe  Fe94  1  0.337992  0.257686  0.474584  1
  Fe  Fe95  1  0.701621  0.984929  0.447833  1
  Fe  Fe96  1  0.837992  0.257686  0.474584  1
  Fe  Fe97  1  0.474338  0.530391  0.501330  1
  Fe  Fe98  1  0.974338  0.530391  0.501330  1
  Fe  Fe99  1  0.906160  0.894027  0.487958  1
  Fe  Fe100  1  0.042517  0.166755  0.514702  1
  Fe  Fe101  1  0.406160  0.894027  0.487958  1
  Fe  Fe102  1  0.542517  0.166755  0.514702  1
  Fe  Fe103  1  0.178861  0.439458  0.541489  1
  Fe  Fe104  1  0.678861  0.439458  0.541489  1
  Fe  Fe105  1  0.610685  0.803096  0.528077  1
  Fe  Fe106  1  0.747056  0.075853  0.554828  1
  Fe  Fe107  1  0.110685  0.803096  0.528077  1
  Fe  Fe108  1  0.247056  0.075853  0.554828  1
  Fe  Fe109  1  0.883401  0.348561  0.581689  1
  Fe  Fe110  1  0.383401  0.348561  0.581689  1
  Fe  Fe111  1  0.315187  0.712121  0.568206  1
  Fe  Fe112  1  0.451621  0.985008  0.594999  1
  Fe  Fe113  1  0.815187  0.712121  0.568206  1
  Fe  Fe114  1  0.951621  0.985008  0.594999  1
  Fe  Fe115  1  0.588068  0.257914  0.621801  1
  Fe  Fe116  1  0.088068  0.257914  0.621801  1
  Fe  Fe117  1  0.019650  0.621069  0.608324  1
  Fe  Fe118  1  0.156045  0.893878  0.635298  1
  Fe  Fe119  1  0.519650  0.621069  0.608324  1
  Fe  Fe120  1  0.656045  0.893878  0.635298  1
  Fe  Fe121  1  0.292236  0.166258  0.661650  1
  Fe  Fe122  1  0.792236  0.166258  0.661650  1
  Fe  Fe123  1  0.724419  0.530628  0.648596  1
  Fe  Fe124  1  0.860556  0.802904  0.675015  1
  Fe  Fe125  1  0.224419  0.530628  0.648596  1
  Fe  Fe126  1  0.360556  0.802904  0.675015  1
  Fe  Fe127  1  0.997769  0.077400  0.700417  1
  Fe  Fe128  1  0.497769  0.077400  0.700417  1
  Fe  Fe129  1  0.429093  0.439980  0.688138  1
  Fe  Fe130  1  0.563871  0.709456  0.712211  1
  Fe  Fe131  1  0.929093  0.439980  0.688138  1
  Fe  Fe132  1  0.063871  0.709456  0.712211  1
