# generated using pymatgen
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23462404
_cell_length_b   12.42973048
_cell_length_c   41.44825237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4P
_chemical_formula_sum   'Fe84 P21'
_cell_volume   3130.689581
_cell_formula_units_Z   21
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  0.098659  0.956200  0.420420  1
  Fe  Fe2  1  0.754380  0.461437  0.364783  1
  Fe  Fe3  1  0.815557  0.651298  0.387078  1
  Fe  Fe4  1  0.128155  0.802141  0.368441  1
  Fe  Fe5  1  0.235295  0.135960  0.390182  1
  Fe  Fe6  1  0.387435  0.459700  0.386476  1
  Fe  Fe7  1  0.417574  0.976785  0.389129  1
  Fe  Fe8  1  0.064284  0.311377  0.360629  1
  Fe  Fe9  1  0.198482  0.615551  0.387393  1
  Fe  Fe10  1  0.505634  0.777865  0.376145  1
  Fe  Fe11  1  0.845197  0.110319  0.384676  1
  Fe  Fe12  1  0.983557  0.430475  0.404276  1
  Fe  Fe13  1  0.454282  0.940738  0.450683  1
  Fe  Fe14  1  0.152428  0.281495  0.420521  1
  Fe  Fe15  1  0.318397  0.503088  0.440696  1
  Fe  Fe16  1  0.562535  0.719790  0.431507  1
  Fe  Fe17  1  0.882343  0.071010  0.442731  1
  Fe  Fe18  1  0.955343  0.383885  0.460440  1
  Fe  Fe19  1  0.812379  0.857938  0.458811  1
  Fe  Fe20  1  0.543165  0.342745  0.425365  1
  Fe  Fe21  1  0.679162  0.535789  0.430198  1
  Fe  Fe22  1  0.164201  0.770069  0.424397  1
  Fe  Fe23  1  0.343318  0.130172  0.444691  1
  Fe  Fe24  1  0.329373  0.350588  0.475364  1
  Fe  Fe25  1  0.849091  0.827628  0.516506  1
  Fe  Fe26  1  0.651029  0.223283  0.483014  1
  Fe  Fe27  1  0.695196  0.469715  0.482394  1
  Fe  Fe28  1  0.903220  0.680140  0.478278  1
  Fe  Fe29  1  0.098619  1.008764  0.488442  1
  Fe  Fe30  1  0.250627  0.292498  0.543973  1
  Fe  Fe31  1  0.124510  0.739982  0.533862  1
  Fe  Fe32  1  0.016994  0.209739  0.478871  1
  Fe  Fe33  1  0.126680  0.533598  0.499253  1
  Fe  Fe34  1  0.535379  0.652393  0.488192  1
  Fe  Fe35  1  0.703352  1.005480  0.497072  1
  Fe  Fe36  1  0.875506  0.349946  0.519413  1
  Fe  Fe37  1  0.361099  0.753554  0.589438  1
  Fe  Fe38  1  0.927334  0.140397  0.530962  1
  Fe  Fe39  1  0.124178  0.456398  0.558541  1
  Fe  Fe40  1  0.422374  0.617032  0.550438  1
  Fe  Fe41  1  0.422294  0.934103  0.557519  1
  Fe  Fe42  1  0.865289  0.262913  0.573177  1
  Fe  Fe43  1  0.763073  0.752584  0.574163  1
  Fe  Fe44  1  0.508544  0.130465  0.543980  1
  Fe  Fe45  1  0.621772  0.448327  0.568356  1
  Fe  Fe46  1  0.826071  0.584432  0.530940  1
  Fe  Fe47  1  0.063597  0.961445  0.555609  1
  Fe  Fe48  1  0.510937  0.268243  0.588378  1
  Fe  Fe49  1  0.644697  0.740201  0.645066  1
  Fe  Fe50  1  0.425352  0.071243  0.600270  1
  Fe  Fe51  1  0.564601  0.411468  0.628819  1
  Fe  Fe52  1  0.022991  0.609002  0.582828  1
  Fe  Fe53  1  0.186513  0.895976  0.610135  1
  Fe  Fe54  1  0.461192  0.218704  0.645138  1
  Fe  Fe55  1  0.237113  0.692030  0.644154  1
  Fe  Fe56  1  0.137359  0.160750  0.588912  1
  Fe  Fe57  1  0.218787  0.357186  0.607693  1
  Fe  Fe58  1  0.436222  0.575087  0.606186  1
  Fe  Fe59  1  0.570294  0.905830  0.617888  1
  Fe  Fe60  1  0.774658  0.143121  0.628626  1
  Fe  Fe61  1  0.050151  0.562777  0.690204  1
  Fe  Fe62  1  0.786742  0.978696  0.664845  1
  Fe  Fe63  1  0.920013  0.358009  0.661942  1
  Fe  Fe64  1  0.365205  0.521142  0.661155  1
  Fe  Fe65  1  0.420033  0.854228  0.673823  1
  Fe  Fe66  1  0.695815  0.169545  0.686673  1
  Fe  Fe67  1  0.677765  0.594883  0.700876  1
  Fe  Fe68  1  0.423339  1.029064  0.659478  1
  Fe  Fe69  1  0.611652  0.406861  0.685666  1
  Fe  Fe70  1  0.816726  0.567721  0.645275  1
  Fe  Fe71  1  0.046786  0.870838  0.665489  1
  Fe  Fe72  1  0.148661  0.117508  0.690475  1
  Fe  Fe73  1  0.548138  0.469054  0.751282  1
  Fe  Fe74  1  0.264100  0.964857  0.720919  1
  Fe  Fe75  1  0.463914  0.261572  0.720112  1
  Fe  Fe76  1  0.872668  0.433685  0.726630  1
  Fe  Fe77  1  0.084151  0.750884  0.708417  1
  Fe  Fe78  1  0.158943  0.121135  0.748088  1
  Fe  Fe79  1  0.281993  0.602751  0.742034  1
  Fe  Fe80  1  0.896926  0.908565  0.718889  1
  Fe  Fe81  1  0.987325  0.257309  0.720474  1
  Fe  Fe82  1  0.258277  0.426187  0.713935  1
  Fe  Fe83  1  0.477723  0.808668  0.739424  1
  Fe  Fe84  1  0.640845  0.124995  0.747185  1
  P  P85  1  0.087804  0.988691  0.358426  1
  P  P86  1  0.441774  0.292589  0.368310  1
  P  P87  1  0.494476  0.593691  0.348897  1
  P  P88  1  0.706664  0.921785  0.410427  1
  P  P89  1  0.763280  0.227111  0.430673  1
  P  P90  1  0.028159  0.576882  0.443162  1
  P  P91  1  0.154836  0.839905  0.476543  1
  P  P92  1  0.313895  0.179834  0.503032  1
  P  P93  1  0.437220  0.470631  0.520599  1
  P  P94  1  0.495173  0.791356  0.531844  1
  P  P95  1  0.771824  0.043652  0.577931  1
  P  P96  1  0.901728  0.427751  0.606414  1
  P  P97  1  0.958315  0.733929  0.618798  1
  P  P98  1  0.111855  0.061450  0.638432  1
  P  P99  1  0.257087  0.318776  0.669586  1
  P  P100  1  0.427721  0.691933  0.693781  1
  P  P101  1  0.610725  0.982162  0.711377  1
  P  P102  1  0.749285  0.310909  0.766869  1
  P  P103  1  0.900099  0.619600  0.746548  1
  P  P104  1  0.052562  0.952984  0.770985  1
  P  P105  1  0.253394  0.308661  0.764658  1
