# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16204257
_cell_length_b   11.12230056
_cell_length_c   47.47960221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.20209553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe84 P42'
_cell_volume   3254.04602511
_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  0.178685  0.616325  0.329103  1
  Fe  Fe2  1  0.633742  0.092115  0.298123  1
  Fe  Fe3  1  0.091432  0.873805  0.311925  1
  Fe  Fe4  1  0.579314  0.330696  0.282372  1
  Fe  Fe5  1  0.642830  0.701353  0.323260  1
  Fe  Fe6  1  0.202006  0.191000  0.291584  1
  Fe  Fe7  1  0.839476  0.507337  0.301814  1
  Fe  Fe8  1  0.337126  0.047131  0.333488  1
  Fe  Fe9  1  0.221511  0.395568  0.310070  1
  Fe  Fe10  1  0.727856  0.928734  0.340867  1
  Fe  Fe11  1  0.330347  0.726147  0.288155  1
  Fe  Fe12  1  0.849519  0.272147  0.317595  1
  Fe  Fe13  1  0.145652  0.691418  0.391149  1
  Fe  Fe14  1  0.693403  0.138315  0.359875  1
  Fe  Fe15  1  0.066018  0.970791  0.370686  1
  Fe  Fe16  1  0.571106  0.445803  0.339728  1
  Fe  Fe17  1  0.683646  0.791192  0.384085  1
  Fe  Fe18  1  0.141392  0.236538  0.353859  1
  Fe  Fe19  1  0.831122  0.589729  0.363597  1
  Fe  Fe20  1  0.333510  0.126411  0.394983  1
  Fe  Fe21  1  0.233679  0.467453  0.372235  1
  Fe  Fe22  1  0.733956  0.006289  0.403000  1
  Fe  Fe23  1  0.344212  0.807024  0.347930  1
  Fe  Fe24  1  0.839083  0.342613  0.380650  1
  Fe  Fe25  1  0.147821  0.768464  0.452932  1
  Fe  Fe26  1  0.647351  0.230398  0.421825  1
  Fe  Fe27  1  0.074461  0.032042  0.435464  1
  Fe  Fe28  1  0.573470  0.493363  0.404340  1
  Fe  Fe29  1  0.684903  0.866013  0.446262  1
  Fe  Fe30  1  0.184703  0.328399  0.415246  1
  Fe  Fe31  1  0.832651  0.664920  0.426380  1
  Fe  Fe32  1  0.332464  0.202061  0.457437  1
  Fe  Fe33  1  0.233098  0.544842  0.434406  1
  Fe  Fe34  1  0.733663  0.082805  0.465512  1
  Fe  Fe35  1  0.339329  0.881117  0.411817  1
  Fe  Fe36  1  0.840108  0.418482  0.442799  1
  Fe  Fe37  1  0.148836  0.844551  0.515394  1
  Fe  Fe38  1  0.649074  0.306228  0.484250  1
  Fe  Fe39  1  0.074196  0.108299  0.497522  1
  Fe  Fe40  1  0.573387  0.570552  0.466309  1
  Fe  Fe41  1  0.683382  0.941867  0.508812  1
  Fe  Fe42  1  0.182523  0.403305  0.477669  1
  Fe  Fe43  1  0.832150  0.740421  0.488575  1
  Fe  Fe44  1  0.332612  0.277748  0.519901  1
  Fe  Fe45  1  0.233772  0.621183  0.496694  1
  Fe  Fe46  1  0.734192  0.158788  0.527990  1
  Fe  Fe47  1  0.340703  0.956898  0.473983  1
  Fe  Fe48  1  0.840155  0.494777  0.505171  1
  Fe  Fe49  1  0.145665  0.921552  0.577715  1
  Fe  Fe50  1  0.646946  0.382380  0.546411  1
  Fe  Fe51  1  0.074989  0.184040  0.560298  1
  Fe  Fe52  1  0.573649  0.646290  0.528767  1
  Fe  Fe53  1  0.686175  0.018854  0.571136  1
  Fe  Fe54  1  0.183273  0.479541  0.539828  1
  Fe  Fe55  1  0.832758  0.816503  0.551144  1
  Fe  Fe56  1  0.334537  0.353937  0.581845  1
  Fe  Fe57  1  0.234032  0.696934  0.559047  1
  Fe  Fe58  1  0.734706  0.233954  0.590480  1
  Fe  Fe59  1  0.339700  0.033120  0.536477  1
  Fe  Fe60  1  0.838142  0.571600  0.567336  1
  Fe  Fe61  1  0.192879  0.983789  0.641948  1
  Fe  Fe62  1  0.650267  0.457337  0.608614  1
  Fe  Fe63  1  0.082974  0.285184  0.620600  1
  Fe  Fe64  1  0.574575  0.720869  0.590697  1
  Fe  Fe65  1  0.644512  0.081250  0.635806  1
  Fe  Fe66  1  0.179787  0.549273  0.602303  1
  Fe  Fe67  1  0.833249  0.894379  0.613252  1
  Fe  Fe68  1  0.341997  0.431235  0.646385  1
  Fe  Fe69  1  0.236577  0.772750  0.621478  1
  Fe  Fe70  1  0.722424  0.314129  0.653557  1
  Fe  Fe71  1  0.338763  0.109938  0.599120  1
  Fe  Fe72  1  0.832586  0.647250  0.629853  1
  Fe  Fe73  1  0.125567  0.057254  0.701502  1
  Fe  Fe74  1  0.656567  0.524457  0.672004  1
  Fe  Fe75  1  0.052135  0.365317  0.681030  1
  Fe  Fe76  1  0.563841  0.816778  0.652294  1
  Fe  Fe77  1  0.717425  0.175799  0.694774  1
  Fe  Fe78  1  0.181211  0.623653  0.665061  1
  Fe  Fe79  1  0.837678  0.963500  0.674269  1
  Fe  Fe80  1  0.344301  0.512194  0.705894  1
  Fe  Fe81  1  0.225525  0.846201  0.683031  1
  Fe  Fe82  1  0.735501  0.389312  0.713275  1
  Fe  Fe83  1  0.340989  0.183158  0.660444  1
  Fe  Fe84  1  0.835291  0.722922  0.690076  1
  P  P85  1  0.946686  0.696845  0.286953  1
  P  P86  1  0.470851  0.238358  0.322593  1
  P  P87  1  0.460462  0.535831  0.294438  1
  P  P88  1  0.973603  0.074910  0.324532  1
  P  P89  1  0.967215  0.429563  0.341256  1
  P  P90  1  0.492891  0.894433  0.302907  1
  P  P91  1  0.964366  0.772970  0.350944  1
  P  P92  1  0.471026  0.311436  0.381603  1
  P  P93  1  0.464475  0.620977  0.362720  1
  P  P94  1  0.969597  0.157854  0.393167  1
  P  P95  1  0.966914  0.505191  0.403253  1
  P  P96  1  0.465445  0.964562  0.372079  1
  P  P97  1  0.972018  0.852835  0.412965  1
  P  P98  1  0.468590  0.388654  0.444912  1
  P  P99  1  0.469252  0.697266  0.424086  1
  P  P100  1  0.968532  0.234421  0.455209  1
  P  P101  1  0.968013  0.580659  0.465695  1
  P  P102  1  0.468683  0.043009  0.434360  1
  P  P103  1  0.968803  0.926636  0.476074  1
  P  P104  1  0.468861  0.464957  0.507196  1
  P  P105  1  0.468610  0.772833  0.486464  1
  P  P106  1  0.968771  0.310168  0.517634  1
  P  P107  1  0.968442  0.657123  0.527971  1
  P  P108  1  0.468740  0.118738  0.496877  1
  P  P109  1  0.969488  0.003365  0.538555  1
  P  P110  1  0.466340  0.540320  0.569874  1
  P  P111  1  0.468690  0.849208  0.548811  1
  P  P112  1  0.965692  0.387382  0.579401  1
  P  P113  1  0.969896  0.732168  0.590432  1
  P  P114  1  0.469599  0.194079  0.559398  1
  P  P115  1  0.968341  0.081445  0.602354  1
  P  P116  1  0.467081  0.619317  0.632598  1
  P  P117  1  0.468997  0.924914  0.610606  1
  P  P118  1  0.966437  0.467778  0.641509  1
  P  P119  1  0.967019  0.805966  0.651814  1
  P  P120  1  0.471004  0.272155  0.622040  1
  P  P121  1  0.978762  0.159646  0.662665  1
  P  P122  1  0.469675  0.704169  0.698173  1
  P  P123  1  0.478435  0.005762  0.680584  1
  P  P124  1  0.968225  0.551672  0.708265  1
  P  P125  1  0.956080  0.876949  0.718824  1
  P  P126  1  0.436121  0.331740  0.690332  1
