# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.03404889
_cell_length_b   8.70928621
_cell_length_c   48.86758335
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.02731449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe40 P80'
_cell_volume   5179.81116295
_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  0.983254  0.700893  0.341608  1
  Fe  Fe2  1  0.483254  0.700893  0.341608  1
  Fe  Fe3  1  0.055970  0.906497  0.304973  1
  Fe  Fe4  1  0.555970  0.906497  0.304973  1
  Fe  Fe5  1  0.229059  0.199896  0.340113  1
  Fe  Fe6  1  0.729059  0.199896  0.340113  1
  Fe  Fe7  1  0.292075  0.409414  0.305121  1
  Fe  Fe8  1  0.792075  0.409414  0.305121  1
  Fe  Fe9  1  0.849253  0.206219  0.424270  1
  Fe  Fe10  1  0.349253  0.206219  0.424270  1
  Fe  Fe11  1  0.912025  0.487416  0.377470  1
  Fe  Fe12  1  0.412025  0.487416  0.377470  1
  Fe  Fe13  1  0.098846  0.709875  0.425373  1
  Fe  Fe14  1  0.598846  0.709875  0.425373  1
  Fe  Fe15  1  0.169012  0.984419  0.379444  1
  Fe  Fe16  1  0.669012  0.984419  0.379444  1
  Fe  Fe17  1  0.723665  0.773993  0.504997  1
  Fe  Fe18  1  0.223665  0.773993  0.504997  1
  Fe  Fe19  1  0.786791  0.990042  0.464775  1
  Fe  Fe20  1  0.286791  0.990042  0.464775  1
  Fe  Fe21  1  0.975552  0.267343  0.503595  1
  Fe  Fe22  1  0.475552  0.267343  0.503595  1
  Fe  Fe23  1  0.036590  0.488889  0.464663  1
  Fe  Fe24  1  0.536590  0.488889  0.464663  1
  Fe  Fe25  1  0.595682  0.289591  0.589871  1
  Fe  Fe26  1  0.095682  0.289591  0.589871  1
  Fe  Fe27  1  0.656357  0.494647  0.550436  1
  Fe  Fe28  1  0.156357  0.494647  0.550436  1
  Fe  Fe29  1  0.846591  0.779403  0.587600  1
  Fe  Fe30  1  0.346591  0.779403  0.587600  1
  Fe  Fe31  1  0.905640  0.003743  0.551434  1
  Fe  Fe32  1  0.405640  0.003743  0.551434  1
  Fe  Fe33  1  0.463248  0.810018  0.670203  1
  Fe  Fe34  1  0.963248  0.810018  0.670203  1
  Fe  Fe35  1  0.530455  0.012170  0.635431  1
  Fe  Fe36  1  0.030455  0.012170  0.635431  1
  Fe  Fe37  1  0.718552  0.295667  0.673815  1
  Fe  Fe38  1  0.218552  0.295667  0.673815  1
  Fe  Fe39  1  0.777255  0.522807  0.636881  1
  Fe  Fe40  1  0.277255  0.522807  0.636881  1
  P  P41  1  0.406071  0.154286  0.312714  1
  P  P42  1  0.906071  0.154286  0.312714  1
  P  P43  1  0.339732  0.939256  0.358095  1
  P  P44  1  0.839732  0.939256  0.358095  1
  P  P45  1  0.120151  0.461288  0.318010  1
  P  P46  1  0.620151  0.461288  0.318010  1
  P  P47  1  0.053508  0.232671  0.360800  1
  P  P48  1  0.553508  0.232671  0.360800  1
  P  P49  1  0.291236  0.328669  0.377558  1
  P  P50  1  0.791236  0.328669  0.377558  1
  P  P51  1  0.353192  0.574035  0.330785  1
  P  P52  1  0.853192  0.574035  0.330785  1
  P  P53  1  0.182099  0.053769  0.301011  1
  P  P54  1  0.682099  0.053769  0.301011  1
  P  P55  1  0.118442  0.825764  0.346133  1
  P  P56  1  0.618442  0.825764  0.346133  1
  P  P57  1  0.270363  0.704746  0.400178  1
  P  P58  1  0.770363  0.704746  0.400178  1
  P  P59  1  0.208226  0.457056  0.441707  1
  P  P60  1  0.708226  0.457056  0.441707  1
  P  P61  1  0.999571  0.984800  0.404554  1
  P  P62  1  0.499571  0.984800  0.404554  1
  P  P63  1  0.930777  0.752891  0.446537  1
  P  P64  1  0.430777  0.752891  0.446537  1
  P  P65  1  0.157075  0.852488  0.460786  1
  P  P66  1  0.657075  0.852488  0.460786  1
  P  P67  1  0.218153  0.091891  0.419153  1
  P  P68  1  0.718153  0.091891  0.419153  1
  P  P69  1  0.048020  0.593604  0.385120  1
  P  P70  1  0.548020  0.593604  0.385120  1
  P  P71  1  0.973894  0.365749  0.425454  1
  P  P72  1  0.473894  0.365749  0.425454  1
  P  P73  1  0.143954  0.227122  0.483421  1
  P  P74  1  0.643954  0.227122  0.483421  1
  P  P75  1  0.074181  0.993444  0.525370  1
  P  P76  1  0.574181  0.993444  0.525370  1
  P  P77  1  0.864968  0.522575  0.488011  1
  P  P78  1  0.364968  0.522575  0.488011  1
  P  P79  1  0.806938  0.273256  0.530580  1
  P  P80  1  0.306938  0.273256  0.530580  1
  P  P81  1  0.025740  0.375524  0.544861  1
  P  P82  1  0.525740  0.375524  0.544861  1
  P  P83  1  0.098118  0.613105  0.503875  1
  P  P84  1  0.598118  0.613105  0.503875  1
  P  P85  1  0.916464  0.127793  0.468843  1
  P  P86  1  0.416464  0.127793  0.468843  1
  P  P87  1  0.853977  0.891829  0.510559  1
  P  P88  1  0.353977  0.891829  0.510559  1
  P  P89  1  0.017838  0.744246  0.567675  1
  P  P90  1  0.517838  0.744246  0.567675  1
  P  P91  1  0.944984  0.511486  0.609512  1
  P  P92  1  0.444984  0.511486  0.609512  1
  P  P93  1  0.734637  0.040668  0.572442  1
  P  P94  1  0.234637  0.040668  0.572442  1
  P  P95  1  0.679059  0.790698  0.615063  1
  P  P96  1  0.179059  0.790698  0.615063  1
  P  P97  1  0.895649  0.894762  0.628419  1
  P  P98  1  0.395649  0.894762  0.628419  1
  P  P99  1  0.970669  0.130485  0.588496  1
  P  P100  1  0.470669  0.130485  0.588496  1
  P  P101  1  0.781787  0.652972  0.551513  1
  P  P102  1  0.281787  0.652972  0.551513  1
  P  P103  1  0.726396  0.409233  0.595477  1
  P  P104  1  0.226396  0.409233  0.595477  1
  P  P105  1  0.887848  0.261204  0.651747  1
  P  P106  1  0.387848  0.261204  0.651747  1
  P  P107  1  0.818053  0.025199  0.694144  1
  P  P108  1  0.318053  0.025199  0.694144  1
  P  P109  1  0.606539  0.557432  0.657086  1
  P  P110  1  0.106539  0.557432  0.657086  1
  P  P111  1  0.551889  0.305577  0.699093  1
  P  P112  1  0.051889  0.305577  0.699093  1
  P  P113  1  0.765727  0.413036  0.713093  1
  P  P114  1  0.265727  0.413036  0.713093  1
  P  P115  1  0.843484  0.647217  0.672774  1
  P  P116  1  0.343484  0.647217  0.672774  1
  P  P117  1  0.653208  0.170666  0.636537  1
  P  P118  1  0.153208  0.170666  0.636537  1
  P  P119  1  0.593173  0.921792  0.681089  1
  P  P120  1  0.093173  0.921792  0.681089  1
