# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38224792
_cell_length_b   20.52915826
_cell_length_c   57.93980746
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe144 P48'
_cell_volume   5212.48879477
_cell_formula_units_Z   48
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  0.005520  0.543893  0.338262  1
  Fe  Fe2  1  0.006729  0.945266  0.409147  1
  Fe  Fe3  1  0.496557  0.551039  0.371459  1
  Fe  Fe4  1  0.478298  0.152836  0.302672  1
  Fe  Fe5  1  0.497169  0.853696  0.411326  1
  Fe  Fe6  1  0.495859  0.453322  0.340942  1
  Fe  Fe7  1  0.004578  0.059307  0.302454  1
  Fe  Fe8  1  0.005783  0.459094  0.373683  1
  Fe  Fe9  1  0.758981  0.955371  0.289349  1
  Fe  Fe10  1  0.740916  0.356191  0.359338  1
  Fe  Fe11  1  0.759823  0.892760  0.374544  1
  Fe  Fe12  1  0.750764  0.487759  0.302144  1
  Fe  Fe13  1  0.758064  0.511824  0.408011  1
  Fe  Fe14  1  0.762370  0.112666  0.336021  1
  Fe  Fe15  1  0.743135  0.647504  0.351543  1
  Fe  Fe16  1  0.742917  0.047650  0.423016  1
  Fe  Fe17  1  0.271914  0.677351  0.373138  1
  Fe  Fe18  1  0.262607  0.280437  0.301162  1
  Fe  Fe19  1  0.232773  0.453371  0.418388  1
  Fe  Fe20  1  0.241957  0.056304  0.344966  1
  Fe  Fe21  1  0.229095  0.952946  0.363235  1
  Fe  Fe22  1  0.240747  0.551328  0.293936  1
  Fe  Fe23  1  0.269630  0.727118  0.409471  1
  Fe  Fe24  1  0.267059  0.326576  0.338017  1
  Fe  Fe25  1  0.514127  0.840601  0.304002  1
  Fe  Fe26  1  0.502628  0.244572  0.373537  1
  Fe  Fe27  1  0.992354  0.850267  0.333586  1
  Fe  Fe28  1  0.994769  0.250501  0.406486  1
  Fe  Fe29  1  0.996396  0.753772  0.306549  1
  Fe  Fe30  1  0.996474  0.153869  0.376040  1
  Fe  Fe31  1  0.509515  0.758161  0.336261  1
  Fe  Fe32  1  0.505144  0.159251  0.408512  1
  Fe  Fe33  1  0.248774  0.656073  0.323579  1
  Fe  Fe34  1  0.242923  0.056354  0.394202  1
  Fe  Fe35  1  0.258025  0.592871  0.410807  1
  Fe  Fe36  1  0.245699  0.192507  0.338667  1
  Fe  Fe37  1  0.258741  0.811783  0.371209  1
  Fe  Fe38  1  0.255687  0.411524  0.299512  1
  Fe  Fe39  1  0.240887  0.946215  0.315599  1
  Fe  Fe40  1  0.243186  0.347525  0.388073  1
  Fe  Fe41  1  0.768366  0.977178  0.336331  1
  Fe  Fe42  1  0.769355  0.377295  0.409014  1
  Fe  Fe43  1  0.732319  0.753019  0.382459  1
  Fe  Fe44  1  0.737905  0.356637  0.310454  1
  Fe  Fe45  1  0.733461  0.651035  0.400236  1
  Fe  Fe46  1  0.728253  0.252034  0.328475  1
  Fe  Fe47  1  0.777523  0.621360  0.302079  1
  Fe  Fe48  1  0.771287  0.027175  0.372791  1
  Fe  Fe49  1  0.005216  0.345097  0.480949  1
  Fe  Fe50  1  0.006639  0.744963  0.552615  1
  Fe  Fe51  1  0.495336  0.350787  0.513568  1
  Fe  Fe52  1  0.496487  0.950649  0.441675  1
  Fe  Fe53  1  0.496487  0.653739  0.554770  1
  Fe  Fe54  1  0.495336  0.253601  0.482877  1
  Fe  Fe55  1  0.006639  0.859425  0.443831  1
  Fe  Fe56  1  0.005216  0.259291  0.515497  1
  Fe  Fe57  1  0.743908  0.756546  0.430232  1
  Fe  Fe58  1  0.743200  0.156231  0.501449  1
  Fe  Fe59  1  0.758164  0.692791  0.517821  1
  Fe  Fe60  1  0.757495  0.292608  0.446224  1
  Fe  Fe61  1  0.757495  0.311780  0.550222  1
  Fe  Fe62  1  0.758164  0.911597  0.478625  1
  Fe  Fe63  1  0.743200  0.448157  0.494997  1
  Fe  Fe64  1  0.743908  0.847842  0.566214  1
  Fe  Fe65  1  0.269513  0.477710  0.515936  1
  Fe  Fe66  1  0.269456  0.077214  0.444094  1
  Fe  Fe67  1  0.232303  0.253401  0.560571  1
  Fe  Fe68  1  0.232538  0.853159  0.489295  1
  Fe  Fe69  1  0.232538  0.751229  0.507151  1
  Fe  Fe70  1  0.232303  0.350987  0.435875  1
  Fe  Fe71  1  0.269456  0.527174  0.552352  1
  Fe  Fe72  1  0.269513  0.126678  0.480510  1
  Fe  Fe73  1  0.506560  0.645334  0.445422  1
  Fe  Fe74  1  0.506086  0.044856  0.516305  1
  Fe  Fe75  1  0.996512  0.651125  0.478037  1
  Fe  Fe76  1  0.996106  0.050531  0.548911  1
  Fe  Fe77  1  0.996106  0.553857  0.447534  1
  Fe  Fe78  1  0.996512  0.953263  0.518409  1
  Fe  Fe79  1  0.506086  0.559532  0.480141  1
  Fe  Fe80  1  0.506560  0.959054  0.551023  1
  Fe  Fe81  1  0.243144  0.456502  0.466201  1
  Fe  Fe82  1  0.243222  0.856048  0.537354  1
  Fe  Fe83  1  0.257375  0.392877  0.553259  1
  Fe  Fe84  1  0.258103  0.992495  0.481609  1
  Fe  Fe85  1  0.258103  0.611893  0.514837  1
  Fe  Fe86  1  0.257375  0.211511  0.443187  1
  Fe  Fe87  1  0.243222  0.748340  0.459092  1
  Fe  Fe88  1  0.243144  0.147886  0.530245  1
  Fe  Fe89  1  0.769382  0.777675  0.480007  1
  Fe  Fe90  1  0.769200  0.177496  0.551125  1
  Fe  Fe91  1  0.732705  0.553578  0.525339  1
  Fe  Fe92  1  0.732390  0.153089  0.453579  1
  Fe  Fe93  1  0.732390  0.451300  0.542867  1
  Fe  Fe94  1  0.732705  0.050810  0.471106  1
  Fe  Fe95  1  0.769200  0.426892  0.445321  1
  Fe  Fe96  1  0.769382  0.826713  0.516439  1
  Fe  Fe97  1  0.005783  0.145294  0.622763  1
  Fe  Fe98  1  0.004578  0.545081  0.693992  1
  Fe  Fe99  1  0.495859  0.151066  0.655503  1
  Fe  Fe100  1  0.497169  0.750692  0.585120  1
  Fe  Fe101  1  0.478298  0.451552  0.693774  1
  Fe  Fe102  1  0.496557  0.053349  0.624987  1
  Fe  Fe103  1  0.006729  0.659122  0.587298  1
  Fe  Fe104  1  0.005520  0.060495  0.658184  1
  Fe  Fe105  1  0.742917  0.556738  0.573430  1
  Fe  Fe106  1  0.743135  0.956884  0.644903  1
  Fe  Fe107  1  0.762370  0.491722  0.660425  1
  Fe  Fe108  1  0.758064  0.092564  0.588434  1
  Fe  Fe109  1  0.750764  0.116629  0.694301  1
  Fe  Fe110  1  0.759823  0.711628  0.621902  1
  Fe  Fe111  1  0.740916  0.248197  0.637108  1
  Fe  Fe112  1  0.758981  0.649017  0.707097  1
  Fe  Fe113  1  0.267059  0.277812  0.658429  1
  Fe  Fe114  1  0.269630  0.877270  0.586975  1
  Fe  Fe115  1  0.240747  0.053060  0.702510  1
  Fe  Fe116  1  0.229095  0.651442  0.633211  1
  Fe  Fe117  1  0.241957  0.548084  0.651479  1
  Fe  Fe118  1  0.232773  0.151017  0.578057  1
  Fe  Fe119  1  0.262607  0.323951  0.695283  1
  Fe  Fe120  1  0.271914  0.927037  0.623307  1
  Fe  Fe121  1  0.505144  0.445137  0.587934  1
  Fe  Fe122  1  0.509515  0.846227  0.660185  1
  Fe  Fe123  1  0.996474  0.450519  0.620406  1
  Fe  Fe124  1  0.996396  0.850616  0.689897  1
  Fe  Fe125  1  0.994769  0.353888  0.589960  1
  Fe  Fe126  1  0.992354  0.754121  0.662860  1
  Fe  Fe127  1  0.502628  0.359816  0.622909  1
  Fe  Fe128  1  0.514127  0.763787  0.692444  1
  Fe  Fe129  1  0.243186  0.256863  0.608373  1
  Fe  Fe130  1  0.240887  0.658173  0.680847  1
  Fe  Fe131  1  0.255687  0.192864  0.696934  1
  Fe  Fe132  1  0.258741  0.792605  0.625237  1
  Fe  Fe133  1  0.245699  0.411881  0.657779  1
  Fe  Fe134  1  0.258025  0.011517  0.585639  1
  Fe  Fe135  1  0.242923  0.548034  0.602244  1
  Fe  Fe136  1  0.248774  0.948315  0.672866  1
  Fe  Fe137  1  0.771287  0.577214  0.623655  1
  Fe  Fe138  1  0.777523  0.983028  0.694367  1
  Fe  Fe139  1  0.728253  0.352354  0.667970  1
  Fe  Fe140  1  0.733461  0.953353  0.596210  1
  Fe  Fe141  1  0.737905  0.247751  0.685992  1
  Fe  Fe142  1  0.732319  0.851369  0.613987  1
  Fe  Fe143  1  0.769355  0.227093  0.587432  1
  Fe  Fe144  1  0.768366  0.627210  0.660115  1
  P  P145  1  0.501800  0.039483  0.308429  1
  P  P146  1  0.503190  0.440905  0.382228  1
  P  P147  1  1.000061  0.828851  0.404633  1
  P  P148  1  0.999207  0.428741  0.334925  1
  P  P149  1  0.998999  0.575852  0.377496  1
  P  P150  1  0.979736  0.180018  0.302246  1
  P  P151  1  0.505156  0.561712  0.330190  1
  P  P152  1  0.503505  0.963599  0.399871  1
  P  P153  1  0.005659  0.739997  0.346543  1
  P  P154  1  0.002876  0.140755  0.417302  1
  P  P155  1  0.504230  0.724752  0.295422  1
  P  P156  1  0.499806  0.128607  0.369435  1
  P  P157  1  0.496202  0.875790  0.341891  1
  P  P158  1  0.497801  0.275579  0.413029  1
  P  P159  1  0.021164  0.859405  0.290766  1
  P  P160  1  1.000490  0.263430  0.364919  1
  P  P161  1  0.503905  0.841144  0.452949  1
  P  P162  1  0.502930  0.241075  0.524323  1
  P  P163  1  0.998930  0.628655  0.548125  1
  P  P164  1  0.998110  0.228458  0.476362  1
  P  P165  1  0.998110  0.375931  0.520083  1
  P  P166  1  0.998930  0.975733  0.448321  1
  P  P167  1  0.502930  0.363313  0.472123  1
  P  P168  1  0.503905  0.763244  0.543497  1
  P  P169  1  0.003555  0.541297  0.489040  1
  P  P170  1  0.003973  0.940814  0.559958  1
  P  P171  1  0.498509  0.528745  0.441104  1
  P  P172  1  0.498935  0.928365  0.511954  1
  P  P173  1  0.498935  0.676023  0.484492  1
  P  P174  1  0.498509  0.075643  0.555341  1
  P  P175  1  0.003973  0.663574  0.436488  1
  P  P176  1  0.003555  0.063091  0.507406  1
  P  P177  1  0.503505  0.640789  0.596574  1
  P  P178  1  0.505156  0.042677  0.666255  1
  P  P179  1  0.979736  0.424370  0.694200  1
  P  P180  1  0.998999  0.028536  0.618950  1
  P  P181  1  0.999207  0.175647  0.661520  1
  P  P182  1  1.000061  0.775538  0.591813  1
  P  P183  1  0.503190  0.163483  0.614217  1
  P  P184  1  0.501800  0.564905  0.688016  1
  P  P185  1  1.000490  0.340959  0.631526  1
  P  P186  1  0.021164  0.744983  0.705680  1
  P  P187  1  0.497801  0.328809  0.583417  1
  P  P188  1  0.496202  0.728598  0.654555  1
  P  P189  1  0.499806  0.475781  0.627011  1
  P  P190  1  0.504230  0.879636  0.701023  1
  P  P191  1  0.002876  0.463633  0.579144  1
  P  P192  1  0.005659  0.864391  0.649903  1
