# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.00610580
_cell_length_b   6.68148348
_cell_length_c   48.66885175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.98755099
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe64 P64'
_cell_volume   3874.94264232
_cell_formula_units_Z   64
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  0.735009  0.228451  0.282902  1
  Fe  Fe2  1  0.213533  0.129414  0.309388  1
  Fe  Fe3  1  0.212177  0.569946  0.306079  1
  Fe  Fe4  1  0.675036  0.462249  0.331109  1
  Fe  Fe5  1  0.970428  0.696528  0.296492  1
  Fe  Fe6  1  0.438163  0.579802  0.320793  1
  Fe  Fe7  1  0.971048  0.112377  0.291767  1
  Fe  Fe8  1  0.446202  0.017852  0.318487  1
  Fe  Fe9  1  0.679475  0.030373  0.333608  1
  Fe  Fe10  1  0.155419  0.930164  0.362595  1
  Fe  Fe11  1  0.150132  0.366959  0.356372  1
  Fe  Fe12  1  0.624882  0.259541  0.384967  1
  Fe  Fe13  1  0.912732  0.489254  0.347503  1
  Fe  Fe14  1  0.383371  0.377792  0.376634  1
  Fe  Fe15  1  0.923384  0.911669  0.344018  1
  Fe  Fe16  1  0.397460  0.809660  0.372091  1
  Fe  Fe17  1  0.629353  0.824073  0.390122  1
  Fe  Fe18  1  0.102402  0.720876  0.417855  1
  Fe  Fe19  1  0.097321  0.155634  0.413221  1
  Fe  Fe20  1  0.571526  0.051998  0.440636  1
  Fe  Fe21  1  0.856789  0.272841  0.403534  1
  Fe  Fe22  1  0.330162  0.171002  0.431381  1
  Fe  Fe23  1  0.870133  0.707280  0.399002  1
  Fe  Fe24  1  0.343585  0.602493  0.427335  1
  Fe  Fe25  1  0.576054  0.615883  0.445804  1
  Fe  Fe26  1  0.048876  0.512331  0.473413  1
  Fe  Fe27  1  0.044321  0.948136  0.468237  1
  Fe  Fe28  1  0.517616  0.843749  0.496067  1
  Fe  Fe29  1  0.803452  0.065848  0.458992  1
  Fe  Fe30  1  0.276358  0.961810  0.486924  1
  Fe  Fe31  1  0.817029  0.497820  0.454911  1
  Fe  Fe32  1  0.289979  0.394221  0.482757  1
  Fe  Fe33  1  0.522200  0.407621  0.501301  1
  Fe  Fe34  1  0.995495  0.303234  0.529131  1
  Fe  Fe35  1  0.990941  0.739039  0.523956  1
  Fe  Fe36  1  0.463762  0.635487  0.551564  1
  Fe  Fe37  1  0.749837  0.857149  0.514611  1
  Fe  Fe38  1  0.222787  0.753550  0.542458  1
  Fe  Fe39  1  0.763458  0.289560  0.510445  1
  Fe  Fe40  1  0.236364  0.185522  0.538377  1
  Fe  Fe41  1  0.468290  0.199372  0.556733  1
  Fe  Fe42  1  0.942495  0.095736  0.584148  1
  Fe  Fe43  1  0.937414  0.530494  0.579514  1
  Fe  Fe44  1  0.410464  0.427297  0.607246  1
  Fe  Fe45  1  0.696231  0.648878  0.570033  1
  Fe  Fe46  1  0.169684  0.544090  0.598366  1
  Fe  Fe47  1  0.709654  0.080368  0.565988  1
  Fe  Fe48  1  0.183027  0.978529  0.593834  1
  Fe  Fe49  1  0.414934  0.991829  0.612401  1
  Fe  Fe50  1  0.889685  0.884411  0.640997  1
  Fe  Fe51  1  0.884397  0.321206  0.634773  1
  Fe  Fe52  1  0.360341  0.220997  0.663761  1
  Fe  Fe53  1  0.642356  0.441710  0.625277  1
  Fe  Fe54  1  0.116432  0.339701  0.653350  1
  Fe  Fe55  1  0.656446  0.873578  0.620735  1
  Fe  Fe56  1  0.127084  0.762116  0.649865  1
  Fe  Fe57  1  0.364781  0.789121  0.666259  1
  Fe  Fe58  1  0.827640  0.681424  0.691289  1
  Fe  Fe59  1  0.826283  0.121956  0.687980  1
  Fe  Fe60  1  0.304807  0.022919  0.714466  1
  Fe  Fe61  1  0.593614  0.233518  0.678882  1
  Fe  Fe62  1  0.068768  0.138994  0.705601  1
  Fe  Fe63  1  0.601654  0.671568  0.676575  1
  Fe  Fe64  1  0.069388  0.554842  0.700877  1
  P  P65  1  0.804144  0.718813  0.316952  1
  P  P66  1  0.342514  0.826021  0.288887  1
  P  P67  1  0.090276  0.890432  0.314635  1
  P  P68  1  0.600405  0.012314  0.285048  1
  P  P69  1  0.828550  0.219557  0.321455  1
  P  P70  1  0.351392  0.322206  0.289821  1
  P  P71  1  0.063292  0.392380  0.310411  1
  P  P72  1  0.597038  0.514139  0.285004  1
  P  P73  1  0.755617  0.509947  0.375423  1
  P  P74  1  0.283741  0.613249  0.348453  1
  P  P75  1  0.027876  0.681058  0.371225  1
  P  P76  1  0.554364  0.783343  0.343357  1
  P  P77  1  0.771336  0.004176  0.376143  1
  P  P78  1  0.299462  0.109228  0.349729  1
  P  P79  1  0.010289  0.186768  0.369912  1
  P  P80  1  0.532910  0.288014  0.342423  1
  P  P81  1  0.701046  0.300913  0.431235  1
  P  P82  1  0.226518  0.405190  0.403595  1
  P  P83  1  0.972720  0.472014  0.426810  1
  P  P84  1  0.500623  0.576020  0.399414  1
  P  P85  1  0.718225  0.796969  0.432262  1
  P  P86  1  0.244528  0.902258  0.404768  1
  P  P87  1  0.955434  0.975132  0.425788  1
  P  P88  1  0.483633  0.079427  0.398483  1
  P  P89  1  0.647368  0.092395  0.486914  1
  P  P90  1  0.173933  0.197053  0.459309  1
  P  P91  1  0.919582  0.263149  0.482563  1
  P  P92  1  0.446416  0.367527  0.454964  1
  P  P93  1  0.664495  0.588577  0.487923  1
  P  P94  1  0.190938  0.692953  0.460197  1
  P  P95  1  0.902467  0.766888  0.481535  1
  P  P96  1  0.429077  0.871285  0.453895  1
  P  P97  1  0.593401  0.883844  0.542405  1
  P  P98  1  0.120234  0.988221  0.514806  1
  P  P99  1  0.865883  0.054317  0.538059  1
  P  P100  1  0.392448  0.158975  0.510455  1
  P  P101  1  0.610739  0.380085  0.543473  1
  P  P102  1  0.137350  0.484482  0.515833  1
  P  P103  1  0.848879  0.558417  0.537171  1
  P  P104  1  0.375321  0.662793  0.509446  1
  P  P105  1  0.539193  0.675350  0.597954  1
  P  P106  1  0.067097  0.779356  0.570559  1
  P  P107  1  0.813299  0.846180  0.593774  1
  P  P108  1  0.338770  0.950458  0.566134  1
  P  P109  1  0.556183  0.171943  0.598885  1
  P  P110  1  0.084382  0.276238  0.571581  1
  P  P111  1  0.795288  0.349112  0.592601  1
  P  P112  1  0.321591  0.454401  0.565106  1
  P  P113  1  0.485452  0.468027  0.654011  1
  P  P114  1  0.011941  0.570312  0.626144  1
  P  P115  1  0.756075  0.638121  0.648915  1
  P  P116  1  0.284200  0.741423  0.621946  1
  P  P117  1  0.506906  0.963356  0.654945  1
  P  P118  1  0.029527  0.064602  0.627456  1
  P  P119  1  0.740354  0.142142  0.647639  1
  P  P120  1  0.268481  0.247194  0.621225  1
  P  P121  1  0.439412  0.239056  0.712320  1
  P  P122  1  0.949540  0.360938  0.682734  1
  P  P123  1  0.697302  0.425349  0.708482  1
  P  P124  1  0.235673  0.532557  0.680417  1
  P  P125  1  0.442778  0.737231  0.712365  1
  P  P126  1  0.976524  0.858990  0.686958  1
  P  P127  1  0.688425  0.929164  0.707548  1
  P  P128  1  0.211266  0.031813  0.675913  1
