# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60920643
_cell_length_b   12.17199061
_cell_length_c   48.54666852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.00332966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe64 P64'
_cell_volume   3876.36055463
_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  0.744463  0.839375  0.328921  1
  Fe  Fe2  1  0.863969  0.373197  0.302569  1
  Fe  Fe3  1  0.785256  0.070304  0.313049  1
  Fe  Fe4  1  0.915691  0.596773  0.287836  1
  Fe  Fe5  1  0.395714  0.131304  0.289598  1
  Fe  Fe6  1  0.293156  0.602271  0.312941  1
  Fe  Fe7  1  0.371560  0.816906  0.299926  1
  Fe  Fe8  1  0.250175  0.300529  0.325829  1
  Fe  Fe9  1  0.535129  0.791047  0.382620  1
  Fe  Fe10  1  0.643801  0.316321  0.352946  1
  Fe  Fe11  1  0.580186  0.013407  0.364674  1
  Fe  Fe12  1  0.696945  0.538653  0.336808  1
  Fe  Fe13  1  0.177713  0.081259  0.338796  1
  Fe  Fe14  1  0.076624  0.554330  0.368222  1
  Fe  Fe15  1  0.152476  0.780772  0.352221  1
  Fe  Fe16  1  0.042638  0.249840  0.380231  1
  Fe  Fe17  1  0.323332  0.738904  0.437772  1
  Fe  Fe18  1  0.427409  0.263649  0.410697  1
  Fe  Fe19  1  0.369113  0.962567  0.420256  1
  Fe  Fe20  1  0.477346  0.487402  0.393143  1
  Fe  Fe21  1  0.964503  0.029106  0.395494  1
  Fe  Fe22  1  0.861160  0.501649  0.423304  1
  Fe  Fe23  1  0.938062  0.724610  0.408313  1
  Fe  Fe24  1  0.831119  0.198713  0.435420  1
  Fe  Fe25  1  0.108522  0.686667  0.493683  1
  Fe  Fe26  1  0.215683  0.212035  0.465701  1
  Fe  Fe27  1  0.155805  0.910773  0.476311  1
  Fe  Fe28  1  0.262816  0.436420  0.448800  1
  Fe  Fe29  1  0.753484  0.976707  0.450744  1
  Fe  Fe30  1  0.647412  0.450184  0.478623  1
  Fe  Fe31  1  0.724881  0.673144  0.463442  1
  Fe  Fe32  1  0.617931  0.146412  0.491197  1
  Fe  Fe33  1  0.895308  0.634809  0.548807  1
  Fe  Fe34  1  0.002319  0.160456  0.521295  1
  Fe  Fe35  1  0.942442  0.859193  0.531906  1
  Fe  Fe36  1  0.049602  0.384562  0.503923  1
  Fe  Fe37  1  0.540194  0.924817  0.506409  1
  Fe  Fe38  1  0.433244  0.398084  0.534165  1
  Fe  Fe39  1  0.510712  0.621044  0.518983  1
  Fe  Fe40  1  0.404640  0.094522  0.546862  1
  Fe  Fe41  1  0.680778  0.583827  0.604463  1
  Fe  Fe42  1  0.789011  0.108662  0.577351  1
  Fe  Fe43  1  0.730716  0.807580  0.586910  1
  Fe  Fe44  1  0.834792  0.332325  0.559834  1
  Fe  Fe45  1  0.327005  0.872515  0.562186  1
  Fe  Fe46  1  0.220062  0.346618  0.589293  1
  Fe  Fe47  1  0.296965  0.569580  0.574302  1
  Fe  Fe48  1  0.193621  0.042122  0.602112  1
  Fe  Fe49  1  0.461180  0.532576  0.660798  1
  Fe  Fe50  1  0.577938  0.057822  0.632932  1
  Fe  Fe51  1  0.514323  0.754907  0.644660  1
  Fe  Fe52  1  0.622995  0.280182  0.614987  1
  Fe  Fe53  1  0.115486  0.821388  0.617376  1
  Fe  Fe54  1  0.005649  0.290456  0.645386  1
  Fe  Fe55  1  0.081500  0.516899  0.629384  1
  Fe  Fe56  1  0.980411  0.989970  0.658811  1
  Fe  Fe57  1  0.242433  0.474456  0.709771  1
  Fe  Fe58  1  0.372868  1.000924  0.684557  1
  Fe  Fe59  1  0.294155  0.698032  0.695037  1
  Fe  Fe60  1  0.413661  0.231854  0.668685  1
  Fe  Fe61  1  0.907950  0.770700  0.671777  1
  Fe  Fe62  1  0.786565  0.254323  0.697681  1
  Fe  Fe63  1  0.864968  0.468957  0.684665  1
  Fe  Fe64  1  0.762410  0.939925  0.708008  1
  P  P65  1  0.063165  0.184008  0.296386  1
  P  P66  1  0.974536  0.657648  0.329732  1
  P  P67  1  0.709366  0.779935  0.278004  1
  P  P68  1  0.582774  0.261638  0.303689  1
  P  P69  1  0.045738  0.914141  0.312208  1
  P  P70  1  0.164272  0.443172  0.285757  1
  P  P71  1  0.499925  0.987956  0.316821  1
  P  P72  1  0.619551  0.520800  0.287270  1
  P  P73  1  0.856258  0.130508  0.355865  1
  P  P74  1  0.752911  0.602714  0.384798  1
  P  P75  1  0.486331  0.721464  0.336303  1
  P  P76  1  0.372134  0.200836  0.363037  1
  P  P77  1  0.836514  0.866111  0.372708  1
  P  P78  1  0.947253  0.390723  0.345961  1
  P  P79  1  0.283139  0.941421  0.373697  1
  P  P80  1  0.396657  0.464900  0.346402  1
  P  P81  1  0.642153  0.077746  0.411956  1
  P  P82  1  0.536735  0.551947  0.440263  1
  P  P83  1  0.263874  0.674972  0.390973  1
  P  P84  1  0.155124  0.148649  0.418370  1
  P  P85  1  0.619145  0.813374  0.428080  1
  P  P86  1  0.723807  0.338550  0.400199  1
  P  P87  1  0.074539  0.888371  0.430395  1
  P  P88  1  0.182909  0.413488  0.402939  1
  P  P89  1  0.429571  0.025802  0.467765  1
  P  P90  1  0.323166  0.499958  0.495702  1
  P  P91  1  0.049764  0.623159  0.446569  1
  P  P92  1  0.942221  0.097248  0.474102  1
  P  P93  1  0.404963  0.761312  0.483700  1
  P  P94  1  0.512437  0.286607  0.456149  1
  P  P95  1  0.859864  0.836465  0.485970  1
  P  P96  1  0.966109  0.361658  0.458189  1
  P  P97  1  0.215903  0.973981  0.523505  1
  P  P98  1  0.108360  0.448070  0.551037  1
  P  P99  1  0.834958  0.571271  0.501904  1
  P  P100  1  0.728554  0.045426  0.529841  1
  P  P101  1  0.192015  0.709571  0.539417  1
  P  P102  1  0.298261  0.234763  0.511636  1
  P  P103  1  0.645687  0.784621  0.541457  1
  P  P104  1  0.753162  0.309917  0.513906  1
  P  P105  1  0.003001  0.922580  0.579236  1
  P  P106  1  0.894250  0.396257  0.606633  1
  P  P107  1  0.621389  0.519282  0.557343  1
  P  P108  1  0.515971  0.993482  0.585650  1
  P  P109  1  0.975216  0.657740  0.594667  1
  P  P110  1  0.083585  0.182858  0.567211  1
  P  P111  1  0.434318  0.732679  0.597407  1
  P  P112  1  0.538980  0.257855  0.569527  1
  P  P113  1  0.785991  0.870393  0.634570  1
  P  P114  1  0.671794  0.349765  0.661303  1
  P  P115  1  0.405214  0.468514  0.612808  1
  P  P116  1  0.301867  0.940721  0.641741  1
  P  P117  1  0.761467  0.606328  0.651204  1
  P  P118  1  0.874986  0.129807  0.623909  1
  P  P119  1  0.210871  0.680506  0.651646  1
  P  P120  1  0.321610  0.205118  0.624899  1
  P  P121  1  0.575350  0.809591  0.693917  1
  P  P122  1  0.448759  0.291293  0.719602  1
  P  P123  1  0.183588  0.413580  0.667874  1
  P  P124  1  0.094960  0.887220  0.701220  1
  P  P125  1  0.538573  0.550429  0.710336  1
  P  P126  1  0.658199  0.083273  0.680785  1
  P  P127  1  0.993852  0.628057  0.711850  1
  P  P128  1  0.112386  0.157088  0.685398  1
