# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78333962
_cell_length_b   17.93459419
_cell_length_c   49.71580311
_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   'Fe84 P84'
_cell_volume   5156.61502876
_cell_formula_units_Z   84
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  0.013877  0.936382  0.333233  1
  Fe  Fe2  1  0.007271  0.286526  0.293605  1
  Fe  Fe3  1  0.020388  0.611619  0.312946  1
  Fe  Fe4  1  1.003364  0.086265  0.311750  1
  Fe  Fe5  1  0.991191  0.408166  0.331433  1
  Fe  Fe6  1  1.001601  0.768319  0.292577  1
  Fe  Fe7  1  0.486616  0.111619  0.312946  1
  Fe  Fe8  1  0.493127  0.436382  0.333233  1
  Fe  Fe9  1  0.499733  0.786526  0.293605  1
  Fe  Fe10  1  0.515814  0.908166  0.331433  1
  Fe  Fe11  1  0.505403  0.268319  0.292577  1
  Fe  Fe12  1  0.503640  0.586265  0.311750  1
  Fe  Fe13  1  0.013130  0.906182  0.394226  1
  Fe  Fe14  1  0.008324  0.259467  0.351992  1
  Fe  Fe15  1  0.010875  0.582859  0.373101  1
  Fe  Fe16  1  0.992988  0.055516  0.371219  1
  Fe  Fe17  1  0.993838  0.378994  0.392646  1
  Fe  Fe18  1  0.995256  0.732860  0.350581  1
  Fe  Fe19  1  0.496129  0.082859  0.373101  1
  Fe  Fe20  1  0.493874  0.406182  0.394226  1
  Fe  Fe21  1  0.498680  0.759467  0.351992  1
  Fe  Fe22  1  0.513166  0.878994  0.392646  1
  Fe  Fe23  1  0.511748  0.232860  0.350581  1
  Fe  Fe24  1  0.514016  0.555516  0.371219  1
  Fe  Fe25  1  0.012988  0.875868  0.456399  1
  Fe  Fe26  1  0.011906  0.228887  0.415157  1
  Fe  Fe27  1  0.013097  0.552624  0.435771  1
  Fe  Fe28  1  0.994168  0.025524  0.434097  1
  Fe  Fe29  1  0.993755  0.348848  0.454679  1
  Fe  Fe30  1  0.995188  0.702229  0.413446  1
  Fe  Fe31  1  0.493907  0.052624  0.435771  1
  Fe  Fe32  1  0.494016  0.375868  0.456399  1
  Fe  Fe33  1  0.495098  0.728887  0.415157  1
  Fe  Fe34  1  0.513249  0.848848  0.454679  1
  Fe  Fe35  1  0.511816  0.202229  0.413446  1
  Fe  Fe36  1  0.512836  0.525524  0.434097  1
  Fe  Fe37  1  0.012766  0.845169  0.519171  1
  Fe  Fe38  1  0.012569  0.198927  0.477317  1
  Fe  Fe39  1  0.012827  0.522066  0.498285  1
  Fe  Fe40  1  0.994177  0.995063  0.496447  1
  Fe  Fe41  1  0.994435  0.318202  0.517416  1
  Fe  Fe42  1  0.994238  0.671960  0.475562  1
  Fe  Fe43  1  0.494177  0.022066  0.498285  1
  Fe  Fe44  1  0.494238  0.345169  0.519171  1
  Fe  Fe45  1  0.494435  0.698927  0.477317  1
  Fe  Fe46  1  0.512569  0.818202  0.517416  1
  Fe  Fe47  1  0.512766  0.171960  0.475562  1
  Fe  Fe48  1  0.512827  0.495063  0.496447  1
  Fe  Fe49  1  0.011816  0.814900  0.581287  1
  Fe  Fe50  1  0.013249  0.168282  0.540054  1
  Fe  Fe51  1  0.012836  0.491605  0.560635  1
  Fe  Fe52  1  0.993907  0.964505  0.558961  1
  Fe  Fe53  1  0.995098  0.288242  0.579576  1
  Fe  Fe54  1  0.994016  0.641261  0.538333  1
  Fe  Fe55  1  0.494168  0.991605  0.560635  1
  Fe  Fe56  1  0.495188  0.314900  0.581287  1
  Fe  Fe57  1  0.493755  0.668282  0.540054  1
  Fe  Fe58  1  0.511906  0.788242  0.579576  1
  Fe  Fe59  1  0.512988  0.141261  0.538333  1
  Fe  Fe60  1  0.513097  0.464505  0.558961  1
  Fe  Fe61  1  0.011748  0.784270  0.644152  1
  Fe  Fe62  1  0.013166  0.138135  0.602086  1
  Fe  Fe63  1  0.014016  0.461613  0.623514  1
  Fe  Fe64  1  0.996129  0.934270  0.621631  1
  Fe  Fe65  1  0.998680  0.257662  0.642740  1
  Fe  Fe66  1  0.993874  0.610947  0.600507  1
  Fe  Fe67  1  0.492988  0.961613  0.623514  1
  Fe  Fe68  1  0.495256  0.284270  0.644152  1
  Fe  Fe69  1  0.493838  0.638135  0.602086  1
  Fe  Fe70  1  0.508324  0.757662  0.642740  1
  Fe  Fe71  1  0.513130  0.110947  0.600507  1
  Fe  Fe72  1  0.510875  0.434270  0.621631  1
  Fe  Fe73  1  0.005403  0.748810  0.702156  1
  Fe  Fe74  1  0.015814  0.108963  0.663299  1
  Fe  Fe75  1  0.003640  0.430864  0.682982  1
  Fe  Fe76  1  0.986616  0.905511  0.681786  1
  Fe  Fe77  1  0.999733  0.230603  0.701127  1
  Fe  Fe78  1  0.993127  0.580747  0.661500  1
  Fe  Fe79  1  0.503364  0.930864  0.682982  1
  Fe  Fe80  1  0.501601  0.248810  0.702156  1
  Fe  Fe81  1  0.491191  0.608963  0.663299  1
  Fe  Fe82  1  0.507271  0.730603  0.701127  1
  Fe  Fe83  1  0.513877  0.080747  0.661500  1
  Fe  Fe84  1  0.520388  0.405511  0.681786  1
  P  P85  1  0.241392  0.173011  0.279067  1
  P  P86  1  0.236432  0.491410  0.298961  1
  P  P87  1  0.234687  0.820092  0.323474  1
  P  P88  1  0.770402  0.886832  0.292206  1
  P  P89  1  0.770886  0.202313  0.314418  1
  P  P90  1  0.776487  0.527359  0.335707  1
  P  P91  1  0.270572  0.991410  0.298961  1
  P  P92  1  0.272317  0.320092  0.323474  1
  P  P93  1  0.265612  0.673011  0.279067  1
  P  P94  1  0.730517  0.027359  0.335707  1
  P  P95  1  0.736602  0.386832  0.292206  1
  P  P96  1  0.736118  0.702313  0.314418  1
  P  P97  1  0.232561  0.141145  0.344886  1
  P  P98  1  0.232609  0.464125  0.365487  1
  P  P99  1  0.237316  0.786463  0.386292  1
  P  P100  1  0.774106  0.851353  0.358344  1
  P  P101  1  0.770150  0.175311  0.378762  1
  P  P102  1  0.770831  0.498966  0.399701  1
  P  P103  1  0.274395  0.964125  0.365487  1
  P  P104  1  0.269688  0.286463  0.386292  1
  P  P105  1  0.274443  0.641145  0.344886  1
  P  P106  1  0.736173  0.998966  0.399701  1
  P  P107  1  0.732898  0.351353  0.358344  1
  P  P108  1  0.736854  0.675311  0.378762  1
  P  P109  1  0.234924  0.110025  0.407080  1
  P  P110  1  0.235105  0.433556  0.427949  1
  P  P111  1  0.235829  0.756693  0.448953  1
  P  P112  1  0.772326  0.821420  0.420692  1
  P  P113  1  0.771336  0.144550  0.441568  1
  P  P114  1  0.771648  0.467889  0.462430  1
  P  P115  1  0.271900  0.933556  0.427949  1
  P  P116  1  0.271176  0.256693  0.448953  1
  P  P117  1  0.272080  0.610025  0.407080  1
  P  P118  1  0.735356  0.967889  0.462430  1
  P  P119  1  0.734678  0.321420  0.420692  1
  P  P120  1  0.735668  0.644550  0.441568  1
  P  P121  1  0.235542  0.079712  0.469789  1
  P  P122  1  0.235681  0.402780  0.490555  1
  P  P123  1  0.235565  0.725955  0.511419  1
  P  P124  1  0.771439  0.791174  0.483313  1
  P  P125  1  0.771323  0.114349  0.504178  1
  P  P126  1  0.771462  0.437417  0.524943  1
  P  P127  1  0.271323  0.902780  0.490555  1
  P  P128  1  0.271439  0.225955  0.511419  1
  P  P129  1  0.271462  0.579712  0.469789  1
  P  P130  1  0.735542  0.937417  0.524943  1
  P  P131  1  0.735565  0.291174  0.483313  1
  P  P132  1  0.735681  0.614349  0.504178  1
  P  P133  1  0.235356  0.049240  0.532302  1
  P  P134  1  0.235668  0.372579  0.553164  1
  P  P135  1  0.234678  0.695709  0.574040  1
  P  P136  1  0.771176  0.760436  0.545779  1
  P  P137  1  0.771900  0.083573  0.566783  1
  P  P138  1  0.772080  0.407104  0.587652  1
  P  P139  1  0.271336  0.872579  0.553164  1
  P  P140  1  0.272326  0.195709  0.574040  1
  P  P141  1  0.271648  0.549240  0.532302  1
  P  P142  1  0.734924  0.907104  0.587652  1
  P  P143  1  0.735829  0.260436  0.545779  1
  P  P144  1  0.735105  0.583573  0.566783  1
  P  P145  1  0.236173  0.018163  0.595031  1
  P  P146  1  0.236854  0.341818  0.615970  1
  P  P147  1  0.232898  0.665776  0.636388  1
  P  P148  1  0.769688  0.730666  0.608441  1
  P  P149  1  0.774395  0.053004  0.629245  1
  P  P150  1  0.774443  0.375984  0.649847  1
  P  P151  1  0.270150  0.841818  0.615970  1
  P  P152  1  0.274106  0.165776  0.636388  1
  P  P153  1  0.270831  0.518163  0.595031  1
  P  P154  1  0.732561  0.875984  0.649847  1
  P  P155  1  0.737316  0.230666  0.608441  1
  P  P156  1  0.732609  0.553004  0.629245  1
  P  P157  1  0.230517  0.989770  0.659026  1
  P  P158  1  0.236118  0.314816  0.680315  1
  P  P159  1  0.236602  0.630297  0.702527  1
  P  P160  1  0.772317  0.697037  0.671259  1
  P  P161  1  0.770572  0.025719  0.695771  1
  P  P162  1  0.765612  0.344118  0.715666  1
  P  P163  1  0.270886  0.814816  0.680315  1
  P  P164  1  0.270402  0.130297  0.702527  1
  P  P165  1  0.276487  0.489770  0.659026  1
  P  P166  1  0.741392  0.844118  0.715666  1
  P  P167  1  0.734687  0.197037  0.671259  1
  P  P168  1  0.736432  0.525719  0.695771  1
