# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77918161
_cell_length_b   12.18883404
_cell_length_c   48.77180454
_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   'Fe56 P56'
_cell_volume   3435.55836118
_cell_formula_units_Z   56
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  0.010407  0.792387  0.335871  1
  Fe  Fe2  1  0.019339  0.322667  0.306077  1
  Fe  Fe3  1  1.002163  0.018774  0.318874  1
  Fe  Fe4  1  0.004283  0.552453  0.290122  1
  Fe  Fe5  1  0.494373  0.052420  0.320115  1
  Fe  Fe6  1  0.499816  0.589491  0.292047  1
  Fe  Fe7  1  0.514009  0.752539  0.333425  1
  Fe  Fe8  1  0.506956  0.281824  0.305022  1
  Fe  Fe9  1  0.012507  0.725915  0.397579  1
  Fe  Fe10  1  0.013052  0.259183  0.366115  1
  Fe  Fe11  1  0.994751  0.953188  0.378920  1
  Fe  Fe12  1  0.988371  0.486884  0.347906  1
  Fe  Fe13  1  0.496371  0.992055  0.381988  1
  Fe  Fe14  1  0.497393  0.526467  0.350678  1
  Fe  Fe15  1  0.512145  0.687160  0.395165  1
  Fe  Fe16  1  0.514571  0.218935  0.363476  1
  Fe  Fe17  1  0.013108  0.660209  0.459845  1
  Fe  Fe18  1  0.013514  0.193186  0.428389  1
  Fe  Fe19  1  0.994477  0.887777  0.441637  1
  Fe  Fe20  1  0.994496  0.420514  0.410644  1
  Fe  Fe21  1  0.494548  0.926912  0.444149  1
  Fe  Fe22  1  0.494321  0.459385  0.413145  1
  Fe  Fe23  1  0.513123  0.621293  0.457204  1
  Fe  Fe24  1  0.513382  0.154194  0.425850  1
  Fe  Fe25  1  0.013184  0.593904  0.522491  1
  Fe  Fe26  1  0.013266  0.126908  0.491157  1
  Fe  Fe27  1  0.994463  0.821524  0.504090  1
  Fe  Fe28  1  0.994544  0.354528  0.472756  1
  Fe  Fe29  1  0.494400  0.860476  0.506790  1
  Fe  Fe30  1  0.494610  0.393393  0.475426  1
  Fe  Fe31  1  0.513118  0.555039  0.519821  1
  Fe  Fe32  1  0.513328  0.087957  0.488457  1
  Fe  Fe33  1  0.013233  0.527919  0.584603  1
  Fe  Fe34  1  0.013251  0.060655  0.553610  1
  Fe  Fe35  1  0.994214  0.755247  0.566858  1
  Fe  Fe36  1  0.994621  0.288224  0.535402  1
  Fe  Fe37  1  0.494346  0.794238  0.569397  1
  Fe  Fe38  1  0.494605  0.327140  0.538043  1
  Fe  Fe39  1  0.513407  0.489047  0.582102  1
  Fe  Fe40  1  0.513181  0.021521  0.551098  1
  Fe  Fe41  1  0.019357  0.461548  0.647341  1
  Fe  Fe42  1  0.012977  0.995245  0.616327  1
  Fe  Fe43  1  0.994677  0.689250  0.629132  1
  Fe  Fe44  1  0.995222  0.222518  0.597668  1
  Fe  Fe45  1  0.493157  0.729498  0.631771  1
  Fe  Fe46  1  0.495583  0.261273  0.600082  1
  Fe  Fe47  1  0.510335  0.421966  0.644569  1
  Fe  Fe48  1  0.511357  0.956378  0.613259  1
  Fe  Fe49  1  1.003445  0.395979  0.705125  1
  Fe  Fe50  1  0.005565  0.929659  0.676373  1
  Fe  Fe51  1  0.988390  0.625765  0.689170  1
  Fe  Fe52  1  0.997321  0.156045  0.659376  1
  Fe  Fe53  1  0.500773  0.666609  0.690225  1
  Fe  Fe54  1  0.493720  0.195894  0.661822  1
  Fe  Fe55  1  0.507913  0.358942  0.703200  1
  Fe  Fe56  1  0.513355  0.896013  0.675132  1
  P  P57  1  0.242472  0.157620  0.288259  1
  P  P58  1  0.230366  0.622895  0.322931  1
  P  P59  1  0.770866  0.730625  0.293219  1
  P  P60  1  0.779869  0.190461  0.327184  1
  P  P61  1  0.265891  0.883621  0.303140  1
  P  P62  1  0.273775  0.354867  0.338960  1
  P  P63  1  0.749503  0.004473  0.279435  1
  P  P64  1  0.721626  0.453454  0.309072  1
  P  P65  1  0.238030  0.085567  0.354252  1
  P  P66  1  0.235288  0.553671  0.385708  1
  P  P67  1  0.772102  0.658436  0.359282  1
  P  P68  1  0.772947  0.125846  0.390270  1
  P  P69  1  0.272048  0.820487  0.369959  1
  P  P70  1  0.272225  0.287359  0.401210  1
  P  P71  1  0.731094  0.923265  0.343000  1
  P  P72  1  0.735833  0.393134  0.374645  1
  P  P73  1  0.235628  0.020869  0.416900  1
  P  P74  1  0.235915  0.487924  0.448390  1
  P  P75  1  0.771785  0.592808  0.421859  1
  P  P76  1  0.772068  0.060021  0.453040  1
  P  P77  1  0.271552  0.754648  0.432669  1
  P  P78  1  0.271634  0.221160  0.463892  1
  P  P79  1  0.736136  0.859693  0.406151  1
  P  P80  1  0.735674  0.326090  0.437353  1
  P  P81  1  0.236100  0.954874  0.479574  1
  P  P82  1  0.236074  0.421614  0.510849  1
  P  P83  1  0.771654  0.526818  0.484398  1
  P  P84  1  0.771629  0.993559  0.515673  1
  P  P85  1  0.271667  0.688238  0.495274  1
  P  P86  1  0.272114  0.155020  0.526496  1
  P  P87  1  0.735614  0.793412  0.468751  1
  P  P88  1  0.736062  0.260195  0.499973  1
  P  P89  1  0.235661  0.888411  0.542207  1
  P  P90  1  0.235944  0.355624  0.573388  1
  P  P91  1  0.771813  0.460508  0.546857  1
  P  P92  1  0.772100  0.927564  0.578347  1
  P  P93  1  0.272055  0.622343  0.557894  1
  P  P94  1  0.271592  0.088740  0.589095  1
  P  P95  1  0.736094  0.727272  0.531355  1
  P  P96  1  0.736177  0.193785  0.562578  1
  P  P97  1  0.234781  0.822586  0.604977  1
  P  P98  1  0.235627  0.289997  0.635965  1
  P  P99  1  0.772441  0.394762  0.609539  1
  P  P100  1  0.769698  0.862866  0.640995  1
  P  P101  1  0.271895  0.555299  0.620601  1
  P  P102  1  0.276634  0.025168  0.652247  1
  P  P103  1  0.735504  0.661074  0.594037  1
  P  P104  1  0.735681  0.127945  0.625288  1
  P  P105  1  0.227859  0.757971  0.668063  1
  P  P106  1  0.236862  0.217807  0.702028  1
  P  P107  1  0.777363  0.325537  0.672316  1
  P  P108  1  0.765256  0.790813  0.706988  1
  P  P109  1  0.286102  0.494979  0.686175  1
  P  P110  1  0.258225  0.943959  0.715812  1
  P  P111  1  0.733954  0.593566  0.656287  1
  P  P112  1  0.741838  0.064811  0.692107  1
