# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78679032
_cell_length_b   11.05087259
_cell_length_c   45.25681182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe48 P48'
_cell_volume   2894.13159613
_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  0.011706  0.371289  0.372891  1
  Fe  Fe2  1  0.003289  0.848272  0.301268  1
  Fe  Fe3  1  0.008818  0.613108  0.333582  1
  Fe  Fe4  1  1.002692  0.335492  0.296107  1
  Fe  Fe5  1  0.994473  0.092312  0.327545  1
  Fe  Fe6  1  0.991834  0.850246  0.363497  1
  Fe  Fe7  1  0.503115  0.348272  0.301268  1
  Fe  Fe8  1  0.497586  0.113108  0.333582  1
  Fe  Fe9  1  0.494698  0.871289  0.372891  1
  Fe  Fe10  1  0.514570  0.350246  0.363497  1
  Fe  Fe11  1  0.503711  0.835492  0.296107  1
  Fe  Fe12  1  0.511931  0.592312  0.327545  1
  Fe  Fe13  1  0.012902  0.655018  0.483782  1
  Fe  Fe14  1  0.013808  0.133093  0.409567  1
  Fe  Fe15  1  0.013025  0.894404  0.446624  1
  Fe  Fe16  1  0.993640  0.609685  0.400427  1
  Fe  Fe17  1  0.993411  0.371556  0.437307  1
  Fe  Fe18  1  0.993540  0.131964  0.474532  1
  Fe  Fe19  1  0.492595  0.633093  0.409567  1
  Fe  Fe20  1  0.493379  0.394404  0.446624  1
  Fe  Fe21  1  0.493502  0.155018  0.483782  1
  Fe  Fe22  1  0.512864  0.631964  0.474532  1
  Fe  Fe23  1  0.512764  0.109685  0.400427  1
  Fe  Fe24  1  0.512993  0.871556  0.437307  1
  Fe  Fe25  1  0.012764  0.938382  0.594842  1
  Fe  Fe26  1  0.012864  0.416103  0.520738  1
  Fe  Fe27  1  0.012993  0.176511  0.557963  1
  Fe  Fe28  1  0.993502  0.893049  0.511488  1
  Fe  Fe29  1  0.993379  0.653663  0.548646  1
  Fe  Fe30  1  0.992595  0.414974  0.585702  1
  Fe  Fe31  1  0.493540  0.916103  0.520738  1
  Fe  Fe32  1  0.493411  0.676511  0.557963  1
  Fe  Fe33  1  0.493640  0.438382  0.594842  1
  Fe  Fe34  1  0.513808  0.914974  0.585702  1
  Fe  Fe35  1  0.512902  0.393049  0.511488  1
  Fe  Fe36  1  0.513025  0.153663  0.548646  1
  Fe  Fe37  1  0.003711  0.212575  0.699163  1
  Fe  Fe38  1  0.014570  0.697821  0.631773  1
  Fe  Fe39  1  0.011931  0.455755  0.667725  1
  Fe  Fe40  1  0.994698  0.176778  0.622379  1
  Fe  Fe41  1  0.997586  0.934958  0.661688  1
  Fe  Fe42  1  1.003115  0.699795  0.694002  1
  Fe  Fe43  1  0.491834  0.197821  0.631773  1
  Fe  Fe44  1  0.494473  0.955755  0.667725  1
  Fe  Fe45  1  0.502692  0.712575  0.699163  1
  Fe  Fe46  1  0.503289  0.199795  0.694002  1
  Fe  Fe47  1  0.511706  0.676778  0.622379  1
  Fe  Fe48  1  0.508818  0.434958  0.661688  1
  P  P49  1  0.239940  0.270640  0.332079  1
  P  P50  1  0.240232  0.029411  0.367940  1
  P  P51  1  0.252608  0.517143  0.290473  1
  P  P52  1  0.773353  0.438385  0.330025  1
  P  P53  1  0.770500  0.193444  0.367409  1
  P  P54  1  0.766900  0.677605  0.288884  1
  P  P55  1  0.266171  0.529411  0.367940  1
  P  P56  1  0.253796  0.017143  0.290473  1
  P  P57  1  0.266463  0.770640  0.332079  1
  P  P58  1  0.739504  0.177605  0.288884  1
  P  P59  1  0.733050  0.938385  0.330025  1
  P  P60  1  0.735904  0.693444  0.367409  1
  P  P61  1  0.235231  0.550765  0.442714  1
  P  P62  1  0.235136  0.311563  0.479732  1
  P  P63  1  0.234408  0.789634  0.405609  1
  P  P64  1  0.770948  0.714921  0.441458  1
  P  P65  1  0.771277  0.475564  0.478376  1
  P  P66  1  0.772669  0.954401  0.404143  1
  P  P67  1  0.271268  0.811563  0.479732  1
  P  P68  1  0.271996  0.289634  0.405609  1
  P  P69  1  0.271173  0.050765  0.442714  1
  P  P70  1  0.733734  0.454401  0.404143  1
  P  P71  1  0.735455  0.214921  0.441458  1
  P  P72  1  0.735126  0.975564  0.478376  1
  P  P73  1  0.235455  0.833146  0.553812  1
  P  P74  1  0.233734  0.593666  0.591127  1
  P  P75  1  0.235126  0.072503  0.516894  1
  P  P76  1  0.771173  0.997302  0.552556  1
  P  P77  1  0.771996  0.758433  0.589661  1
  P  P78  1  0.771268  0.236504  0.515538  1
  P  P79  1  0.272669  0.093666  0.591127  1
  P  P80  1  0.271277  0.572503  0.516894  1
  P  P81  1  0.270948  0.333146  0.553812  1
  P  P82  1  0.735136  0.736504  0.515538  1
  P  P83  1  0.735231  0.497302  0.552556  1
  P  P84  1  0.734408  0.258433  0.589661  1
  P  P85  1  0.233050  0.109682  0.665244  1
  P  P86  1  0.239504  0.870462  0.706386  1
  P  P87  1  0.235904  0.354623  0.627861  1
  P  P88  1  0.766463  0.277427  0.663191  1
  P  P89  1  0.753796  0.030923  0.704797  1
  P  P90  1  0.766171  0.518656  0.627330  1
  P  P91  1  0.266900  0.370462  0.706386  1
  P  P92  1  0.270500  0.854623  0.627861  1
  P  P93  1  0.273353  0.609682  0.665244  1
  P  P94  1  0.740232  0.018656  0.627330  1
  P  P95  1  0.739940  0.777427  0.663191  1
  P  P96  1  0.752608  0.530923  0.704797  1
