# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.07637614
_cell_length_b   10.63102623
_cell_length_c   47.20984102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.31532155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe126 P63'
_cell_volume   4876.86746285
_cell_formula_units_Z   63
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  0.502398  0.843601  0.308575  1
  Fe  Fe2  1  0.798498  0.694317  0.327052  1
  Fe  Fe3  1  0.213866  0.986571  0.288847  1
  Fe  Fe4  1  0.503381  0.224732  0.308151  1
  Fe  Fe5  1  0.802236  0.073359  0.325716  1
  Fe  Fe6  1  0.210914  0.365091  0.290169  1
  Fe  Fe7  1  0.530624  0.498063  0.295405  1
  Fe  Fe8  1  0.816835  0.363407  0.313501  1
  Fe  Fe9  1  0.123676  0.217632  0.333392  1
  Fe  Fe10  1  0.641571  0.963001  0.323609  1
  Fe  Fe11  1  0.060622  0.251923  0.281244  1
  Fe  Fe12  1  0.343022  0.111798  0.303354  1
  Fe  Fe13  1  0.623264  0.335476  0.336613  1
  Fe  Fe14  1  0.035237  0.630901  0.294669  1
  Fe  Fe15  1  0.325479  0.486165  0.314840  1
  Fe  Fe16  1  0.622092  0.601131  0.334980  1
  Fe  Fe17  1  0.037954  0.893777  0.293447  1
  Fe  Fe18  1  0.328135  0.748207  0.313073  1
  Fe  Fe19  1  0.404552  0.386395  0.369187  1
  Fe  Fe20  1  0.702768  0.239215  0.390557  1
  Fe  Fe21  1  0.101839  0.531770  0.346343  1
  Fe  Fe22  1  0.408878  0.779928  0.365626  1
  Fe  Fe23  1  0.709432  0.631032  0.385974  1
  Fe  Fe24  1  0.106196  0.931978  0.343903  1
  Fe  Fe25  1  0.428099  0.064356  0.355105  1
  Fe  Fe26  1  0.726298  0.912827  0.375306  1
  Fe  Fe27  1  0.021549  0.759749  0.397949  1
  Fe  Fe28  1  0.542225  0.514163  0.386942  1
  Fe  Fe29  1  0.937818  0.815212  0.343006  1
  Fe  Fe30  1  0.241565  0.664219  0.366022  1
  Fe  Fe31  1  0.520500  0.888301  0.399879  1
  Fe  Fe32  1  0.919135  0.188255  0.356703  1
  Fe  Fe33  1  0.218319  0.039204  0.379098  1
  Fe  Fe34  1  0.521554  0.152584  0.399515  1
  Fe  Fe35  1  0.919718  0.453430  0.356088  1
  Fe  Fe36  1  0.218417  0.303985  0.378900  1
  Fe  Fe37  1  0.299548  0.941133  0.432215  1
  Fe  Fe38  1  0.600150  0.791284  0.453072  1
  Fe  Fe39  1  1.000025  0.091540  0.411393  1
  Fe  Fe40  1  0.307327  0.331962  0.427311  1
  Fe  Fe41  1  0.607132  0.181934  0.448618  1
  Fe  Fe42  1  0.007624  0.481387  0.406632  1
  Fe  Fe43  1  0.321803  0.609729  0.418794  1
  Fe  Fe44  1  0.622806  0.459188  0.439399  1
  Fe  Fe45  1  0.922153  0.310227  0.459905  1
  Fe  Fe46  1  0.440085  0.064711  0.448738  1
  Fe  Fe47  1  0.841372  0.364693  0.407024  1
  Fe  Fe48  1  0.140213  0.215074  0.427637  1
  Fe  Fe49  1  0.418524  0.439381  0.462038  1
  Fe  Fe50  1  0.819985  0.738605  0.420157  1
  Fe  Fe51  1  0.119018  0.588911  0.441003  1
  Fe  Fe52  1  0.420123  0.703303  0.461016  1
  Fe  Fe53  1  0.821646  0.002272  0.419456  1
  Fe  Fe54  1  0.120709  0.852800  0.440172  1
  Fe  Fe55  1  0.199009  0.491001  0.494585  1
  Fe  Fe56  1  0.498733  0.341491  0.515362  1
  Fe  Fe57  1  0.899650  0.640981  0.473550  1
  Fe  Fe58  1  0.205203  0.883107  0.489971  1
  Fe  Fe59  1  0.501235  0.733618  0.513075  1
  Fe  Fe60  1  0.906347  0.032541  0.469449  1
  Fe  Fe61  1  0.221558  0.160121  0.480835  1
  Fe  Fe62  1  0.520715  0.009633  0.501836  1
  Fe  Fe63  1  0.819998  0.859591  0.522669  1
  Fe  Fe64  1  0.338027  0.614432  0.511066  1
  Fe  Fe65  1  0.738987  0.914894  0.469702  1
  Fe  Fe66  1  0.038118  0.765047  0.490425  1
  Fe  Fe67  1  0.316977  0.990718  0.524201  1
  Fe  Fe68  1  0.718124  0.289979  0.482873  1
  Fe  Fe69  1  0.017447  0.140405  0.503566  1
  Fe  Fe70  1  0.319619  0.253002  0.523259  1
  Fe  Fe71  1  0.720156  0.553240  0.481713  1
  Fe  Fe72  1  0.019986  0.403070  0.502455  1
  Fe  Fe73  1  0.098346  0.041222  0.557169  1
  Fe  Fe74  1  0.406753  0.872485  0.572533  1
  Fe  Fe75  1  0.798046  0.192072  0.536065  1
  Fe  Fe76  1  0.106592  0.432164  0.552616  1
  Fe  Fe77  1  0.405124  0.283610  0.573183  1
  Fe  Fe78  1  0.802620  0.582085  0.534224  1
  Fe  Fe79  1  0.118795  0.709883  0.543402  1
  Fe  Fe80  1  0.418914  0.569932  0.563677  1
  Fe  Fe81  1  0.720892  0.419306  0.584374  1
  Fe  Fe82  1  0.239010  0.162540  0.574168  1
  Fe  Fe83  1  0.638680  0.463247  0.531796  1
  Fe  Fe84  1  0.939647  0.312845  0.552883  1
  Fe  Fe85  1  0.217159  0.540723  0.586627  1
  Fe  Fe86  1  0.617277  0.840719  0.544814  1
  Fe  Fe87  1  0.917781  0.690338  0.565808  1
  Fe  Fe88  1  0.218556  0.803396  0.585837  1
  Fe  Fe89  1  0.618551  0.103632  0.543991  1
  Fe  Fe90  1  0.918581  0.953327  0.564823  1
  Fe  Fe91  1  0.995431  0.590991  0.618866  1
  Fe  Fe92  1  0.300428  0.433722  0.641926  1
  Fe  Fe93  1  0.704889  0.722745  0.592824  1
  Fe  Fe94  1  0.002363  0.985554  0.614722  1
  Fe  Fe95  1  0.301188  0.823812  0.642313  1
  Fe  Fe96  1  0.704117  0.134676  0.593135  1
  Fe  Fe97  1  0.022833  0.256720  0.606335  1
  Fe  Fe98  1  0.318288  0.126073  0.629898  1
  Fe  Fe99  1  0.611785  0.977550  0.649999  1
  Fe  Fe100  1  0.138433  0.711801  0.635966  1
  Fe  Fe101  1  0.535966  0.013343  0.594624  1
  Fe  Fe102  1  0.833958  0.864244  0.614782  1
  Fe  Fe103  1  0.120069  0.093703  0.649051  1
  Fe  Fe104  1  0.514955  0.391600  0.607440  1
  Fe  Fe105  1  0.815258  0.242662  0.627653  1
  Fe  Fe106  1  0.118484  0.349262  0.648811  1
  Fe  Fe107  1  0.516312  0.654467  0.606830  1
  Fe  Fe108  1  0.816132  0.503589  0.627237  1
  Fe  Fe109  1  0.896107  0.127731  0.678541  1
  Fe  Fe110  1  0.176148  0.978634  0.697699  1
  Fe  Fe111  1  0.594735  0.289472  0.661823  1
  Fe  Fe112  1  0.897024  0.540077  0.677590  1
  Fe  Fe113  1  0.177121  0.404124  0.697919  1
  Fe  Fe114  1  0.593330  0.675950  0.661901  1
  Fe  Fe115  1  0.910483  0.820799  0.667486  1
  Fe  Fe116  1  0.214512  0.674135  0.687856  1
  Fe  Fe117  1  0.517125  0.521972  0.706632  1
  Fe  Fe118  1  0.022928  0.269450  0.699343  1
  Fe  Fe119  1  0.435128  0.562949  0.658032  1
  Fe  Fe120  1  0.732511  0.414331  0.677963  1
  Fe  Fe121  1  0.998096  0.664054  0.710118  1
  Fe  Fe122  1  0.419111  0.941960  0.669928  1
  Fe  Fe123  1  0.717849  0.798106  0.690062  1
  Fe  Fe124  1  0.997421  0.899107  0.709653  1
  Fe  Fe125  1  0.419184  0.201067  0.670099  1
  Fe  Fe126  1  0.719494  0.044568  0.689982  1
  P  P127  1  0.686510  0.256399  0.287685  1
  P  P128  1  0.988191  0.117974  0.310311  1
  P  P129  1  0.292858  0.968751  0.334605  1
  P  P130  1  0.682406  0.613171  0.289117  1
  P  P131  1  0.984947  0.457011  0.310982  1
  P  P132  1  0.293868  0.302674  0.335467  1
  P  P133  1  0.535346  0.016458  0.277912  1
  P  P134  1  0.840280  0.861104  0.297256  1
  P  P135  1  0.145717  0.709348  0.323415  1
  P  P136  1  0.593526  0.817936  0.354277  1
  P  P137  1  0.895333  0.668319  0.373415  1
  P  P138  1  0.193239  0.519956  0.394241  1
  P  P139  1  0.594453  0.153373  0.355079  1
  P  P140  1  0.896170  1.001093  0.374289  1
  P  P141  1  0.193194  0.852230  0.394893  1
  P  P142  1  0.444002  0.560485  0.344189  1
  P  P143  1  0.744020  0.410172  0.363734  1
  P  P144  1  0.042871  0.259558  0.383730  1
  P  P145  1  0.493322  0.369357  0.415824  1
  P  P146  1  0.793519  0.218708  0.436501  1
  P  P147  1  0.092798  0.069429  0.457314  1
  P  P148  1  0.493779  0.702428  0.415949  1
  P  P149  1  0.793964  0.552482  0.436366  1
  P  P150  1  0.093446  0.402548  0.457134  1
  P  P151  1  0.344160  0.109191  0.405110  1
  P  P152  1  0.644238  0.959599  0.426069  1
  P  P153  1  0.942619  0.810766  0.447066  1
  P  P154  1  0.392732  0.918266  0.478168  1
  P  P155  1  0.691844  0.766945  0.499080  1
  P  P156  1  0.990910  0.618159  0.519672  1
  P  P157  1  0.392487  0.252747  0.477952  1
  P  P158  1  0.691864  0.102851  0.498816  1
  P  P159  1  0.990825  0.953483  0.519600  1
  P  P160  1  0.241999  0.661039  0.467866  1
  P  P161  1  0.541972  0.512283  0.488611  1
  P  P162  1  0.842031  0.362429  0.509420  1
  P  P163  1  0.291659  0.469524  0.540604  1
  P  P164  1  0.590561  0.321159  0.561463  1
  P  P165  1  0.891493  0.169928  0.581997  1
  P  P166  1  0.287308  0.803528  0.539893  1
  P  P167  1  0.591655  0.648890  0.560714  1
  P  P168  1  0.896269  0.497920  0.582038  1
  P  P169  1  0.141628  0.211538  0.530361  1
  P  P170  1  0.440050  0.062581  0.551513  1
  P  P171  1  0.739162  0.913004  0.572065  1
  P  P172  1  0.198050  0.013496  0.603277  1
  P  P173  1  0.490513  0.866312  0.623476  1
  P  P174  1  0.783159  0.719824  0.642958  1
  P  P175  1  0.191667  0.353650  0.602841  1
  P  P176  1  0.490459  0.205375  0.623438  1
  P  P177  1  0.787048  0.056648  0.642631  1
  P  P178  1  0.040096  0.762239  0.592868  1
  P  P179  1  0.339894  0.611549  0.613737  1
  P  P180  1  0.638644  0.461880  0.633999  1
  P  P181  1  0.087863  0.570340  0.663538  1
  P  P182  1  0.384864  0.413403  0.691336  1
  P  P183  1  0.700090  0.261705  0.709436  1
  P  P184  1  0.085571  0.904994  0.662630  1
  P  P185  1  0.384229  0.763525  0.691706  1
  P  P186  1  0.701031  0.599108  0.709100  1
  P  P187  1  0.937132  0.312669  0.655084  1
  P  P188  1  0.238991  0.160766  0.681364  1
  P  P189  1  0.541980  0.009977  0.703433  1
