# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92393840
_cell_length_b   18.24488990
_cell_length_c   48.25642998
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe42 P84'
_cell_volume   5215.6323474
_cell_formula_units_Z   42
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  0.033752  0.023017  0.326475  1
  Fe  Fe2  1  0.963102  0.736017  0.288524  1
  Fe  Fe3  1  0.034608  0.377953  0.304626  1
  Fe  Fe4  1  0.488969  0.840758  0.336197  1
  Fe  Fe5  1  0.488414  0.549373  0.294384  1
  Fe  Fe6  1  0.473568  0.200527  0.315677  1
  Fe  Fe7  1  0.994090  0.961537  0.380264  1
  Fe  Fe8  1  0.982705  0.667119  0.342669  1
  Fe  Fe9  1  0.990569  0.318129  0.358674  1
  Fe  Fe10  1  0.502877  0.782917  0.394935  1
  Fe  Fe11  1  0.508587  0.496525  0.347613  1
  Fe  Fe12  1  0.516335  0.140543  0.369583  1
  Fe  Fe13  1  0.007948  0.889042  0.449979  1
  Fe  Fe14  1  0.007595  0.603830  0.403559  1
  Fe  Fe15  1  0.013679  0.244764  0.428040  1
  Fe  Fe16  1  0.508770  0.721397  0.452943  1
  Fe  Fe17  1  0.495784  0.424210  0.416498  1
  Fe  Fe18  1  0.493106  0.065840  0.439726  1
  Fe  Fe19  1  0.009075  0.828320  0.508825  1
  Fe  Fe20  1  0.997042  0.544417  0.462442  1
  Fe  Fe21  1  0.995921  0.188357  0.484797  1
  Fe  Fe22  1  0.495845  0.647303  0.522427  1
  Fe  Fe23  1  0.515907  0.366718  0.473461  1
  Fe  Fe24  1  0.509289  0.007344  0.498311  1
  Fe  Fe25  1  0.995089  0.769965  0.567537  1
  Fe  Fe26  1  0.011900  0.469101  0.533473  1
  Fe  Fe27  1  0.009834  0.114502  0.554509  1
  Fe  Fe28  1  0.511632  0.590378  0.579406  1
  Fe  Fe29  1  0.494376  0.290967  0.543537  1
  Fe  Fe30  1  0.510212  0.946923  0.557037  1
  Fe  Fe31  1  0.017007  0.696809  0.637375  1
  Fe  Fe32  1  1.001171  0.410466  0.592173  1
  Fe  Fe33  1  0.012146  0.054457  0.613156  1
  Fe  Fe34  1  0.496323  0.519023  0.648009  1
  Fe  Fe35  1  0.509852  0.232278  0.602318  1
  Fe  Fe36  1  0.495386  0.874490  0.626492  1
  Fe  Fe37  1  0.973878  0.636309  0.691471  1
  Fe  Fe38  1  0.020845  0.350023  0.651555  1
  Fe  Fe39  1  0.981025  0.992875  0.669717  1
  Fe  Fe40  1  0.504010  0.463731  0.701260  1
  Fe  Fe41  1  0.525595  0.175117  0.661583  1
  Fe  Fe42  1  0.534880  0.814529  0.680637  1
  P  P43  1  0.610860  0.790883  0.289995  1
  P  P44  1  0.671597  0.442859  0.306128  1
  P  P45  1  0.670565  0.090215  0.327894  1
  P  P46  1  0.330128  0.950324  0.309500  1
  P  P47  1  0.335892  0.608329  0.330042  1
  P  P48  1  0.333244  0.305687  0.288197  1
  P  P49  1  0.137490  0.781630  0.324899  1
  P  P50  1  0.169990  0.485067  0.277638  1
  P  P51  1  0.170485  0.128458  0.299301  1
  P  P52  1  0.824307  0.915520  0.338744  1
  P  P53  1  0.837072  0.621863  0.296422  1
  P  P54  1  0.834763  0.267327  0.317003  1
  P  P55  1  0.648534  0.734883  0.353789  1
  P  P56  1  0.657875  0.385627  0.370890  1
  P  P57  1  0.659512  0.030438  0.392939  1
  P  P58  1  0.340276  0.893608  0.375075  1
  P  P59  1  0.347728  0.536506  0.393007  1
  P  P60  1  0.338618  0.250316  0.354049  1
  P  P61  1  0.154171  0.713807  0.385404  1
  P  P62  1  0.166901  0.427888  0.343068  1
  P  P63  1  0.168880  0.072194  0.364875  1
  P  P64  1  0.847019  0.852668  0.403388  1
  P  P65  1  0.843042  0.559724  0.360386  1
  P  P66  1  0.848339  0.208191  0.381853  1
  P  P67  1  0.661682  0.670427  0.413849  1
  P  P68  1  0.666507  0.315285  0.433479  1
  P  P69  1  0.666045  0.960242  0.455865  1
  P  P70  1  0.343640  0.828337  0.436844  1
  P  P71  1  0.341586  0.474550  0.456690  1
  P  P72  1  0.349614  0.178275  0.415745  1
  P  P73  1  0.166757  0.650164  0.446857  1
  P  P74  1  0.157512  0.356900  0.404766  1
  P  P75  1  0.157484  0.001335  0.426393  1
  P  P76  1  0.845297  0.782516  0.466025  1
  P  P77  1  0.842142  0.494050  0.422577  1
  P  P78  1  0.840011  0.137143  0.444676  1
  P  P79  1  0.660191  0.608827  0.476803  1
  P  P80  1  0.659446  0.255445  0.497362  1
  P  P81  1  0.662063  0.895675  0.517418  1
  P  P82  1  0.347733  0.758247  0.498939  1
  P  P83  1  0.347859  0.403566  0.519399  1
  P  P84  1  0.342237  0.117810  0.479185  1
  P  P85  1  0.159872  0.580327  0.509426  1
  P  P86  1  0.167257  0.296556  0.468121  1
  P  P87  1  0.161635  0.940015  0.489697  1
  P  P88  1  0.842304  0.717886  0.528001  1
  P  P89  1  0.848973  0.433436  0.486550  1
  P  P90  1  0.848073  0.077466  0.508077  1
  P  P91  1  0.666680  0.538948  0.539238  1
  P  P92  1  0.667394  0.184825  0.560207  1
  P  P93  1  0.659034  0.834547  0.580657  1
  P  P94  1  0.340515  0.698797  0.562334  1
  P  P95  1  0.346796  0.343030  0.582552  1
  P  P96  1  0.345256  0.053301  0.540979  1
  P  P97  1  0.165787  0.520287  0.573122  1
  P  P98  1  0.158072  0.226417  0.530646  1
  P  P99  1  0.167182  0.875626  0.551206  1
  P  P100  1  0.850265  0.657439  0.591394  1
  P  P101  1  0.842196  0.362584  0.549389  1
  P  P102  1  0.846263  0.007960  0.570306  1
  P  P103  1  0.659552  0.478389  0.602634  1
  P  P104  1  0.667724  0.122187  0.622452  1
  P  P105  1  0.670722  0.764816  0.642319  1
  P  P106  1  0.349655  0.629922  0.624996  1
  P  P107  1  0.353844  0.280351  0.644025  1
  P  P108  1  0.350236  0.984224  0.603440  1
  P  P109  1  0.164808  0.456679  0.634988  1
  P  P110  1  0.166965  0.164396  0.594287  1
  P  P111  1  0.160533  0.806905  0.614223  1
  P  P112  1  0.838933  0.587127  0.653033  1
  P  P113  1  0.850786  0.300368  0.611381  1
  P  P114  1  0.841679  0.943482  0.631617  1
  P  P115  1  0.673135  0.408901  0.665515  1
  P  P116  1  0.678002  0.063973  0.686760  1
  P  P117  1  0.675601  0.708397  0.707931  1
  P  P118  1  0.334952  0.571306  0.689818  1
  P  P119  1  0.371596  0.213154  0.705757  1
  P  P120  1  0.339734  0.925122  0.668144  1
  P  P121  1  0.170884  0.388030  0.698386  1
  P  P122  1  0.176391  0.099927  0.656418  1
  P  P123  1  0.174196  0.747413  0.679064  1
  P  P124  1  0.837977  0.527341  0.717631  1
  P  P125  1  0.865180  0.239156  0.675032  1
  P  P126  1  0.839859  0.886247  0.696932  1
