# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16122173
_cell_length_b   11.08509964
_cell_length_c   51.15545581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.04531236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe90 P45'
_cell_volume   3357.69622223
_cell_formula_units_Z   45
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  0.112315  0.991202  0.356704  1
  Fe  Fe2  1  0.228557  0.242312  0.324937  1
  Fe  Fe3  1  0.343803  0.495238  0.302125  1
  Fe  Fe4  1  0.672192  0.897709  0.322518  1
  Fe  Fe5  1  0.796058  0.143144  0.293879  1
  Fe  Fe6  1  0.532253  0.643044  0.351035  1
  Fe  Fe7  1  0.110398  0.844263  0.305018  1
  Fe  Fe8  1  0.207406  0.089024  0.276596  1
  Fe  Fe9  1  0.992685  0.589299  0.331639  1
  Fe  Fe10  1  0.405576  0.053472  0.318577  1
  Fe  Fe11  1  0.514472  0.290105  0.288347  1
  Fe  Fe12  1  0.282491  0.804337  0.349037  1
  Fe  Fe13  1  0.848543  0.915558  0.276505  1
  Fe  Fe14  1  0.600482  0.440063  0.335089  1
  Fe  Fe15  1  0.728573  0.687408  0.305789  1
  Fe  Fe16  1  0.833046  0.124649  0.343894  1
  Fe  Fe17  1  0.947263  0.375079  0.312782  1
  Fe  Fe18  1  0.076811  0.626651  0.284340  1
  Fe  Fe19  1  0.738535  0.242498  0.446785  1
  Fe  Fe20  1  0.863185  0.491231  0.416752  1
  Fe  Fe21  1  0.993925  0.754697  0.391605  1
  Fe  Fe22  1  0.304324  0.152904  0.414478  1
  Fe  Fe23  1  0.429404  0.402216  0.384456  1
  Fe  Fe24  1  0.136468  0.896086  0.442419  1
  Fe  Fe25  1  0.738042  0.099952  0.395315  1
  Fe  Fe26  1  0.859824  0.348875  0.364873  1
  Fe  Fe27  1  0.649802  0.842911  0.423118  1
  Fe  Fe28  1  0.033775  0.305816  0.409840  1
  Fe  Fe29  1  0.157133  0.555574  0.379516  1
  Fe  Fe30  1  0.908089  0.056969  0.440157  1
  Fe  Fe31  1  0.469874  0.186980  0.367462  1
  Fe  Fe32  1  0.224496  0.689844  0.427721  1
  Fe  Fe33  1  0.349118  0.938430  0.397659  1
  Fe  Fe34  1  0.463367  0.374155  0.434456  1
  Fe  Fe35  1  0.588001  0.623512  0.404179  1
  Fe  Fe36  1  0.711007  0.873447  0.374206  1
  Fe  Fe37  1  0.364460  0.493723  0.537645  1
  Fe  Fe38  1  0.489093  0.742701  0.507394  1
  Fe  Fe39  1  0.621002  0.006320  0.482117  1
  Fe  Fe40  1  0.930730  0.404617  0.505435  1
  Fe  Fe41  1  0.055289  0.653411  0.475209  1
  Fe  Fe42  1  0.761314  0.147801  0.533340  1
  Fe  Fe43  1  0.364805  0.351417  0.486127  1
  Fe  Fe44  1  0.488794  0.600239  0.455877  1
  Fe  Fe45  1  0.277617  0.094778  0.513975  1
  Fe  Fe46  1  0.660897  0.557784  0.500670  1
  Fe  Fe47  1  0.783861  0.807233  0.470456  1
  Fe  Fe48  1  0.534821  0.308431  0.531007  1
  Fe  Fe49  1  0.097429  0.439747  0.457984  1
  Fe  Fe50  1  0.849209  0.941255  0.518698  1
  Fe  Fe51  1  0.974057  0.190584  0.488440  1
  Fe  Fe52  1  0.089728  0.625610  0.525154  1
  Fe  Fe53  1  0.214609  0.874710  0.494785  1
  Fe  Fe54  1  0.339385  0.124480  0.464555  1
  Fe  Fe55  1  0.990550  0.744259  0.627576  1
  Fe  Fe56  1  0.110755  0.995432  0.598384  1
  Fe  Fe57  1  0.247124  0.257931  0.572691  1
  Fe  Fe58  1  0.556416  0.656086  0.596351  1
  Fe  Fe59  1  0.679676  0.905447  0.566096  1
  Fe  Fe60  1  0.385255  0.398538  0.624447  1
  Fe  Fe61  1  0.991141  0.602582  0.576889  1
  Fe  Fe62  1  0.116319  0.852198  0.546826  1
  Fe  Fe63  1  0.904021  0.345688  0.604682  1
  Fe  Fe64  1  0.288299  0.810224  0.591458  1
  Fe  Fe65  1  0.410588  0.058464  0.561476  1
  Fe  Fe66  1  0.160813  0.560629  0.621430  1
  Fe  Fe67  1  0.722814  0.691275  0.548869  1
  Fe  Fe68  1  0.475267  0.193160  0.609641  1
  Fe  Fe69  1  0.600185  0.442543  0.579295  1
  Fe  Fe70  1  0.713377  0.876487  0.615381  1
  Fe  Fe71  1  0.839646  0.125738  0.585370  1
  Fe  Fe72  1  0.964943  0.375758  0.555239  1
  Fe  Fe73  1  0.616388  0.003240  0.716350  1
  Fe  Fe74  1  0.734116  0.246135  0.688315  1
  Fe  Fe75  1  0.862159  0.504915  0.664412  1
  Fe  Fe76  1  0.175690  0.909053  0.687595  1
  Fe  Fe77  1  0.275778  0.158258  0.657793  1
  Fe  Fe78  1  0.990600  0.654177  0.712441  1
  Fe  Fe79  1  0.610150  0.854485  0.668726  1
  Fe  Fe80  1  0.775198  0.104111  0.637523  1
  Fe  Fe81  1  0.528386  0.604800  0.695130  1
  Fe  Fe82  1  0.920734  0.060585  0.683010  1
  Fe  Fe83  1  0.037491  0.309022  0.653679  1
  Fe  Fe84  1  0.782712  0.814784  0.711206  1
  Fe  Fe85  1  0.345558  0.942526  0.639693  1
  Fe  Fe86  1  0.103797  0.458738  0.700629  1
  Fe  Fe87  1  0.224829  0.694748  0.670772  1
  Fe  Fe88  1  0.344895  0.128487  0.705650  1
  Fe  Fe89  1  0.459004  0.375585  0.676141  1
  Fe  Fe90  1  0.585035  0.624996  0.645816  1
  P  P91  1  0.023063  0.039751  0.314745  1
  P  P92  1  0.139177  0.300941  0.279448  1
  P  P93  1  0.904130  0.787322  0.345070  1
  P  P94  1  0.487131  0.960431  0.280914  1
  P  P95  1  0.234790  0.451781  0.344314  1
  P  P96  1  0.364814  0.709033  0.312860  1
  P  P97  1  0.507696  0.995859  0.358120  1
  P  P98  1  0.626894  0.247377  0.328253  1
  P  P99  1  0.729456  0.496815  0.290005  1
  P  P100  1  0.655491  0.289922  0.403737  1
  P  P101  1  0.782221  0.542637  0.373395  1
  P  P102  1  0.529433  0.036120  0.434773  1
  P  P103  1  0.115353  0.206729  0.373363  1
  P  P104  1  0.863212  0.701693  0.434787  1
  P  P105  1  0.992895  0.961827  0.403459  1
  P  P106  1  0.135351  0.248401  0.449211  1
  P  P107  1  0.259729  0.497859  0.418803  1
  P  P108  1  0.383362  0.745622  0.387985  1
  P  P109  1  0.282542  0.541083  0.494618  1
  P  P110  1  0.409420  0.795012  0.463881  1
  P  P111  1  0.155821  0.287275  0.525440  1
  P  P112  1  0.740858  0.457180  0.464366  1
  P  P113  1  0.488774  0.953156  0.525476  1
  P  P114  1  0.618697  0.212802  0.494052  1
  P  P115  1  0.761392  0.500158  0.540050  1
  P  P116  1  0.886346  0.749832  0.509791  1
  P  P117  1  0.010954  0.998990  0.479438  1
  P  P118  1  0.908196  0.792209  0.585208  1
  P  P119  1  0.036163  0.046466  0.554592  1
  P  P120  1  0.782128  0.537489  0.616423  1
  P  P121  1  0.366280  0.708480  0.555092  1
  P  P122  1  0.117143  0.206234  0.615886  1
  P  P123  1  0.244168  0.464034  0.584859  1
  P  P124  1  0.385969  0.752504  0.631107  1
  P  P125  1  0.511614  0.003180  0.601270  1
  P  P126  1  0.636611  0.250764  0.570384  1
  P  P127  1  0.530018  0.041708  0.674481  1
  P  P128  1  0.660164  0.295015  0.645152  1
  P  P129  1  0.391655  0.785786  0.711092  1
  P  P130  1  0.989054  0.957312  0.645421  1
  P  P131  1  0.719025  0.446326  0.709675  1
  P  P132  1  0.863597  0.713306  0.673788  1
  P  P133  1  0.011304  0.992511  0.725816  1
  P  P134  1  0.127764  0.258727  0.697128  1
  P  P135  1  0.256907  0.501592  0.660661  1
