# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54908463
_cell_length_b   18.01273434
_cell_length_c   50.09908955
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.06089564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe48 P96'
_cell_volume   5888.0900327
_cell_formula_units_Z   48
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  0.848018  0.881580  0.282180  1
  Fe  Fe2  1  0.770196  0.217412  0.298823  1
  Fe  Fe3  1  0.689530  0.543840  0.316240  1
  Fe  Fe4  1  0.288189  0.047485  0.289910  1
  Fe  Fe5  1  0.235222  0.362310  0.306261  1
  Fe  Fe6  1  0.146201  0.698185  0.322072  1
  Fe  Fe7  1  0.615741  0.859327  0.330329  1
  Fe  Fe8  1  0.550696  0.185430  0.345024  1
  Fe  Fe9  1  0.472134  0.512522  0.362648  1
  Fe  Fe10  1  0.086783  0.032162  0.337616  1
  Fe  Fe11  1  0.010576  0.356058  0.354417  1
  Fe  Fe12  1  0.930848  0.680932  0.373394  1
  Fe  Fe13  1  0.388217  0.840353  0.382115  1
  Fe  Fe14  1  0.277611  0.166368  0.406797  1
  Fe  Fe15  1  0.196008  0.490807  0.424507  1
  Fe  Fe16  1  0.823539  0.999043  0.397239  1
  Fe  Fe17  1  0.737984  0.323463  0.415335  1
  Fe  Fe18  1  0.658358  0.647656  0.433817  1
  Fe  Fe19  1  0.113383  0.813024  0.444609  1
  Fe  Fe20  1  0.063124  0.138846  0.456790  1
  Fe  Fe21  1  0.983577  0.463860  0.474794  1
  Fe  Fe22  1  0.599720  0.979039  0.447444  1
  Fe  Fe23  1  0.522125  0.307147  0.466040  1
  Fe  Fe24  1  0.437054  0.629237  0.484136  1
  Fe  Fe25  1  0.885987  0.790537  0.496385  1
  Fe  Fe26  1  0.788982  0.117797  0.518101  1
  Fe  Fe27  1  0.709412  0.442738  0.536211  1
  Fe  Fe28  1  0.335117  0.952105  0.508669  1
  Fe  Fe29  1  0.250607  0.274619  0.526923  1
  Fe  Fe30  1  0.172060  0.602282  0.545581  1
  Fe  Fe31  1  0.658231  0.768120  0.548086  1
  Fe  Fe32  1  0.576198  0.090617  0.568262  1
  Fe  Fe33  1  0.495705  0.415414  0.586365  1
  Fe  Fe34  1  0.113534  0.933487  0.559031  1
  Fe  Fe35  1  0.034828  0.258260  0.577625  1
  Fe  Fe36  1  0.950129  0.581294  0.595640  1
  Fe  Fe37  1  0.383867  0.740633  0.610274  1
  Fe  Fe38  1  0.301024  0.068699  0.629950  1
  Fe  Fe39  1  0.223484  0.395781  0.647839  1
  Fe  Fe40  1  0.842223  0.900485  0.619532  1
  Fe  Fe41  1  0.762323  0.224805  0.638318  1
  Fe  Fe42  1  0.690318  0.553714  0.656373  1
  Fe  Fe43  1  0.162787  0.721525  0.661310  1
  Fe  Fe44  1  0.082559  0.037202  0.676413  1
  Fe  Fe45  1  0.003113  0.361086  0.694171  1
  Fe  Fe46  1  0.625009  0.882765  0.670867  1
  Fe  Fe47  1  0.536806  0.217984  0.686341  1
  Fe  Fe48  1  0.481655  0.532774  0.703364  1
  P  P49  1  0.424499  0.979488  0.323246  1
  P  P50  1  0.565624  0.325256  0.284262  1
  P  P51  1  0.486818  0.655669  0.301888  1
  P  P52  1  0.961931  0.092492  0.296172  1
  P  P53  1  0.902903  0.423309  0.315064  1
  P  P54  1  0.061394  0.771865  0.280499  1
  P  P55  1  0.466254  0.152264  0.300018  1
  P  P56  1  0.390310  0.478852  0.317787  1
  P  P57  1  0.541835  0.835757  0.282656  1
  P  P58  1  0.934834  0.920097  0.321777  1
  P  P59  1  0.079061  0.267263  0.282043  1
  P  P60  1  -0.001131  0.596580  0.299851  1
  P  P61  1  0.169550  0.956653  0.378415  1
  P  P62  1  0.344070  0.302635  0.342950  1
  P  P63  1  0.260892  0.629866  0.359619  1
  P  P64  1  0.749383  0.070973  0.355262  1
  P  P65  1  0.672623  0.396637  0.372675  1
  P  P66  1  0.814226  0.744929  0.336228  1
  P  P67  1  0.236021  0.132631  0.358496  1
  P  P68  1  0.158614  0.457758  0.375855  1
  P  P69  1  0.307122  0.804665  0.338652  1
  P  P70  1  0.689221  0.896082  0.375704  1
  P  P71  1  0.857720  0.245246  0.339981  1
  P  P72  1  0.776425  0.571693  0.357810  1
  P  P73  1  0.931348  0.930238  0.434822  1
  P  P74  1  0.080098  0.282740  0.397209  1
  P  P75  1  0.000342  0.607306  0.415100  1
  P  P76  1  0.491979  0.049314  0.410094  1
  P  P77  1  0.410628  0.374561  0.427846  1
  P  P78  1  0.586065  0.721887  0.392308  1
  P  P79  1  0.977824  0.106633  0.413130  1
  P  P80  1  0.895551  0.432352  0.430953  1
  P  P81  1  0.073413  0.782857  0.395386  1
  P  P82  1  0.433707  0.871699  0.430531  1
  P  P83  1  0.595759  0.220631  0.393782  1
  P  P84  1  0.512884  0.546294  0.411483  1
  P  P85  1  0.674619  0.907920  0.489218  1
  P  P86  1  0.850668  0.255679  0.453512  1
  P  P87  1  0.771309  0.580860  0.471672  1
  P  P88  1  0.261073  0.022794  0.466359  1
  P  P89  1  0.181157  0.347994  0.484559  1
  P  P90  1  0.325620  0.698986  0.446940  1
  P  P91  1  0.745634  0.083164  0.469724  1
  P  P92  1  0.666738  0.409166  0.487919  1
  P  P93  1  0.813536  0.756845  0.450556  1
  P  P94  1  0.196623  0.848634  0.487304  1
  P  P95  1  0.364958  0.198255  0.450415  1
  P  P96  1  0.283786  0.522623  0.468358  1
  P  P97  1  0.445879  0.882200  0.545878  1
  P  P98  1  0.591499  0.233711  0.508404  1
  P  P99  1  0.510856  0.558645  0.526543  1
  P  P100  1  0.001109  1.000643  0.521172  1
  P  P101  1  0.922010  0.325986  0.539459  1
  P  P102  1  0.097515  0.673357  0.503714  1
  P  P103  1  0.488473  0.058812  0.524486  1
  P  P104  1  0.407657  0.383548  0.542619  1
  P  P105  1  0.575218  0.732609  0.505543  1
  P  P106  1  0.958666  0.824434  0.542175  1
  P  P107  1  0.105917  0.172493  0.505028  1
  P  P108  1  0.026731  0.498365  0.523244  1
  P  P109  1  0.185597  0.859146  0.600558  1
  P  P110  1  0.362076  0.207026  0.565073  1
  P  P111  1  0.282477  0.532742  0.583169  1
  P  P112  1  0.771861  0.974086  0.577633  1
  P  P113  1  0.692593  0.298899  0.595711  1
  P  P114  1  0.839993  0.651055  0.558233  1
  P  P115  1  0.259421  0.034916  0.581285  1
  P  P116  1  0.177332  0.361289  0.599185  1
  P  P117  1  0.337858  0.709345  0.562572  1
  P  P118  1  0.699389  0.798967  0.597129  1
  P  P119  1  0.877147  0.149231  0.561916  1
  P  P120  1  0.795117  0.474952  0.579947  1
  P  P121  1  0.956917  0.834554  0.656841  1
  P  P122  1  0.100615  0.184614  0.620134  1
  P  P123  1  0.022783  0.510548  0.638130  1
  P  P124  1  0.511960  0.950975  0.633093  1
  P  P125  1  0.429298  0.278695  0.649809  1
  P  P126  1  0.607299  0.625350  0.615342  1
  P  P127  1  0.996297  0.008995  0.634926  1
  P  P128  1  0.914837  0.335591  0.652858  1
  P  P129  1  0.079481  0.684452  0.617691  1
  P  P130  1  0.470666  0.775129  0.653584  1
  P  P131  1  0.614629  0.123299  0.616854  1
  P  P132  1  0.538038  0.449857  0.634680  1
  P  P133  1  0.698478  0.811978  0.711281  1
  P  P134  1  0.869306  0.157094  0.677534  1
  P  P135  1  0.804180  0.483730  0.696445  1
  P  P136  1  0.284820  0.925838  0.690470  1
  P  P137  1  0.206619  0.254396  0.708487  1
  P  P138  1  0.349671  0.601811  0.669982  1
  P  P139  1  0.773416  0.984563  0.692892  1
  P  P140  1  0.692525  0.310782  0.711182  1
  P  P141  1  0.848401  0.660881  0.675150  1
  P  P142  1  0.217130  0.746631  0.707922  1
  P  P143  1  0.382126  0.101987  0.674802  1
  P  P144  1  0.305052  0.428059  0.692916  1
