# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77994333
_cell_length_b   18.75398702
_cell_length_c   47.56116016
_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   5155.48623415
_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  0.018760  0.498633  0.298941  1
  Fe  Fe2  1  0.009319  0.795158  0.339167  1
  Fe  Fe3  1  0.019677  0.144512  0.319252  1
  Fe  Fe4  1  1.003244  0.649779  0.287398  1
  Fe  Fe5  1  0.999751  0.945045  0.326441  1
  Fe  Fe6  1  0.009746  0.299881  0.306771  1
  Fe  Fe7  1  0.498212  0.672889  0.290107  1
  Fe  Fe8  1  0.493458  0.966758  0.328313  1
  Fe  Fe9  1  0.490923  0.321699  0.309127  1
  Fe  Fe10  1  0.502067  0.472699  0.297357  1
  Fe  Fe11  1  0.513081  0.769804  0.335844  1
  Fe  Fe12  1  0.506318  0.121871  0.316626  1
  Fe  Fe13  1  0.009727  0.443650  0.358435  1
  Fe  Fe14  1  0.011852  0.739422  0.400797  1
  Fe  Fe15  1  0.013063  0.091378  0.379458  1
  Fe  Fe16  1  0.986773  0.594747  0.345104  1
  Fe  Fe17  1  0.993935  0.890714  0.386353  1
  Fe  Fe18  1  0.994159  0.242594  0.365479  1
  Fe  Fe19  1  0.496338  0.619968  0.348833  1
  Fe  Fe20  1  0.495455  0.915445  0.390184  1
  Fe  Fe21  1  0.499903  0.267088  0.368674  1
  Fe  Fe22  1  0.515207  0.418464  0.355338  1
  Fe  Fe23  1  0.511570  0.714776  0.397529  1
  Fe  Fe24  1  0.515449  0.066087  0.375792  1
  Fe  Fe25  1  0.013231  0.387303  0.421419  1
  Fe  Fe26  1  0.012785  0.683947  0.462945  1
  Fe  Fe27  1  0.013533  0.035878  0.441871  1
  Fe  Fe28  1  0.994006  0.538561  0.407811  1
  Fe  Fe29  1  0.994002  0.835319  0.449108  1
  Fe  Fe30  1  0.995501  0.186816  0.428332  1
  Fe  Fe31  1  0.493804  0.563284  0.411128  1
  Fe  Fe32  1  0.494070  0.860171  0.452468  1
  Fe  Fe33  1  0.495241  0.211424  0.431732  1
  Fe  Fe34  1  0.513018  0.362652  0.418056  1
  Fe  Fe35  1  0.512841  0.659273  0.459484  1
  Fe  Fe36  1  0.513312  0.011150  0.438447  1
  Fe  Fe37  1  0.013356  0.331579  0.483796  1
  Fe  Fe38  1  0.013434  0.627889  0.525516  1
  Fe  Fe39  1  0.012863  0.979863  0.504808  1
  Fe  Fe40  1  0.994161  0.483019  0.469869  1
  Fe  Fe41  1  0.994240  0.779329  0.511588  1
  Fe  Fe42  1  0.994733  0.131045  0.490576  1
  Fe  Fe43  1  0.494450  0.507664  0.473379  1
  Fe  Fe44  1  0.493845  0.804015  0.515126  1
  Fe  Fe45  1  0.494827  0.155627  0.494197  1
  Fe  Fe46  1  0.513751  0.306893  0.480258  1
  Fe  Fe47  1  0.513146  0.603244  0.522005  1
  Fe  Fe48  1  0.512769  0.955280  0.501187  1
  Fe  Fe49  1  0.013593  0.275589  0.546276  1
  Fe  Fe50  1  0.013589  0.572347  0.587573  1
  Fe  Fe51  1  0.012095  0.924092  0.567052  1
  Fe  Fe52  1  0.994811  0.426961  0.532439  1
  Fe  Fe53  1  0.994365  0.723605  0.573965  1
  Fe  Fe54  1  0.994063  0.075030  0.553513  1
  Fe  Fe55  1  0.494755  0.451634  0.535900  1
  Fe  Fe56  1  0.494577  0.748255  0.577328  1
  Fe  Fe57  1  0.494283  0.099758  0.556938  1
  Fe  Fe58  1  0.513526  0.250736  0.542916  1
  Fe  Fe59  1  0.513792  0.547624  0.584256  1
  Fe  Fe60  1  0.512354  0.899484  0.563652  1
  Fe  Fe61  1  0.013661  0.220194  0.609031  1
  Fe  Fe62  1  0.020822  0.516160  0.650280  1
  Fe  Fe63  1  0.013437  0.868314  0.629905  1
  Fe  Fe64  1  0.995743  0.371486  0.594587  1
  Fe  Fe65  1  0.997869  0.667258  0.636949  1
  Fe  Fe66  1  0.994533  0.019530  0.615926  1
  Fe  Fe67  1  0.496026  0.396132  0.597855  1
  Fe  Fe68  1  0.492388  0.692444  0.640046  1
  Fe  Fe69  1  0.492147  0.044821  0.619592  1
  Fe  Fe70  1  0.512141  0.195462  0.605200  1
  Fe  Fe71  1  0.511258  0.490940  0.646551  1
  Fe  Fe72  1  0.507693  0.843820  0.626710  1
  Fe  Fe73  1  0.007845  0.165863  0.668944  1
  Fe  Fe74  1  0.004352  0.461129  0.707986  1
  Fe  Fe75  1  0.997850  0.811027  0.688613  1
  Fe  Fe76  1  0.998277  0.315750  0.656217  1
  Fe  Fe77  1  0.988836  0.612275  0.696443  1
  Fe  Fe78  1  0.987919  0.966396  0.676132  1
  Fe  Fe79  1  0.494515  0.341103  0.659541  1
  Fe  Fe80  1  0.505528  0.638209  0.698027  1
  Fe  Fe81  1  0.501278  0.989036  0.678759  1
  Fe  Fe82  1  0.514138  0.144150  0.667071  1
  Fe  Fe83  1  0.509384  0.438019  0.705277  1
  Fe  Fe84  1  0.516673  0.789209  0.686257  1
  P  P85  1  0.229499  0.688075  0.322454  1
  P  P86  1  0.240862  0.038678  0.297931  1
  P  P87  1  0.242085  0.394694  0.277430  1
  P  P88  1  0.778164  0.406033  0.316135  1
  P  P89  1  0.769389  0.763991  0.294262  1
  P  P90  1  0.776084  0.055652  0.337926  1
  P  P91  1  0.271773  0.511462  0.333381  1
  P  P92  1  0.264149  0.860321  0.307546  1
  P  P93  1  0.270163  0.215803  0.287777  1
  P  P94  1  0.720308  0.581481  0.304739  1
  P  P95  1  0.747107  0.943963  0.285741  1
  P  P96  1  0.736364  0.230417  0.326037  1
  P  P97  1  0.234323  0.630143  0.385135  1
  P  P98  1  0.236881  0.981786  0.363759  1
  P  P99  1  0.235811  0.334373  0.343929  1
  P  P100  1  0.771942  0.352236  0.380746  1
  P  P101  1  0.771387  0.703530  0.360283  1
  P  P102  1  0.772573  1.000347  0.401385  1
  P  P103  1  0.271065  0.454173  0.395443  1
  P  P104  1  0.271193  0.806472  0.374549  1
  P  P105  1  0.275741  0.158281  0.353933  1
  P  P106  1  0.734906  0.528095  0.370381  1
  P  P107  1  0.729729  0.878534  0.349067  1
  P  P108  1  0.737654  0.176686  0.391017  1
  P  P109  1  0.235647  0.574547  0.447738  1
  P  P110  1  0.235234  0.926719  0.426532  1
  P  P111  1  0.236907  0.278167  0.405828  1
  P  P112  1  0.772395  0.295929  0.443450  1
  P  P113  1  0.771233  0.648067  0.422807  1
  P  P114  1  0.771712  0.944568  0.464293  1
  P  P115  1  0.271724  0.398405  0.458110  1
  P  P116  1  0.271155  0.750849  0.437196  1
  P  P117  1  0.273058  0.102411  0.416073  1
  P  P118  1  0.735341  0.471930  0.433074  1
  P  P119  1  0.735471  0.824488  0.412268  1
  P  P120  1  0.736084  0.120030  0.453777  1
  P  P121  1  0.236040  0.518579  0.510119  1
  P  P122  1  0.235686  0.870865  0.489279  1
  P  P123  1  0.236422  0.222385  0.468496  1
  P  P124  1  0.771910  0.240042  0.506105  1
  P  P125  1  0.771556  0.592329  0.485265  1
  P  P126  1  0.771174  0.888522  0.526888  1
  P  P127  1  0.272293  0.342381  0.520537  1
  P  P128  1  0.271435  0.694766  0.499710  1
  P  P129  1  0.271554  0.046511  0.478861  1
  P  P130  1  0.736161  0.416142  0.495674  1
  P  P131  1  0.735303  0.768527  0.474847  1
  P  P132  1  0.736042  0.064397  0.516523  1
  P  P133  1  0.236363  0.462841  0.572577  1
  P  P134  1  0.235200  0.814979  0.551934  1
  P  P135  1  0.235884  0.166340  0.531091  1
  P  P136  1  0.772362  0.184188  0.568852  1
  P  P137  1  0.771949  0.536361  0.547646  1
  P  P138  1  0.770689  0.832741  0.589556  1
  P  P139  1  0.272125  0.286420  0.583116  1
  P  P140  1  0.272255  0.638978  0.562310  1
  P  P141  1  0.271512  0.990877  0.541607  1
  P  P142  1  0.736441  0.360058  0.558188  1
  P  P143  1  0.735872  0.712503  0.537274  1
  P  P144  1  0.734538  0.008496  0.579311  1
  P  P145  1  0.236209  0.407378  0.635101  1
  P  P146  1  0.235654  0.758672  0.614638  1
  P  P147  1  0.235023  0.110561  0.593999  1
  P  P148  1  0.770715  0.129122  0.631625  1
  P  P149  1  0.773273  0.480765  0.610249  1
  P  P150  1  0.771785  0.776535  0.651455  1
  P  P151  1  0.277867  0.232374  0.646317  1
  P  P152  1  0.272690  0.582813  0.625003  1
  P  P153  1  0.269941  0.934222  0.604367  1
  P  P154  1  0.736403  0.304436  0.620835  1
  P  P155  1  0.736530  0.656734  0.599941  1
  P  P156  1  0.731855  0.952627  0.641451  1
  P  P157  1  0.238207  0.346917  0.701122  1
  P  P158  1  0.229432  0.704875  0.679249  1
  P  P159  1  0.231512  0.055255  0.657458  1
  P  P160  1  0.766734  0.072230  0.697453  1
  P  P161  1  0.778097  0.422833  0.672930  1
  P  P162  1  0.765511  0.716214  0.717954  1
  P  P163  1  0.260488  0.166944  0.709643  1
  P  P164  1  0.287288  0.529427  0.690645  1
  P  P165  1  0.271232  0.880491  0.669347  1
  P  P166  1  0.743447  0.250586  0.687838  1
  P  P167  1  0.735823  0.599446  0.662003  1
  P  P168  1  0.737433  0.895104  0.707607  1
