# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.98996518
_cell_length_b   10.17930414
_cell_length_c   47.53173848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.67394100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe144 P48'
_cell_volume   4837.55169403
_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  1.000105  0.675004  0.313770  1
  Fe  Fe2  1  0.211131  0.022809  0.330175  1
  Fe  Fe3  1  0.046635  0.465103  0.282914  1
  Fe  Fe4  1  0.248436  0.810891  0.297475  1
  Fe  Fe5  1  0.347841  0.746286  0.335775  1
  Fe  Fe6  1  0.796753  0.206409  0.281970  1
  Fe  Fe7  1  0.378564  0.134558  0.290629  1
  Fe  Fe8  1  0.980657  0.905992  0.315819  1
  Fe  Fe9  1  0.110738  0.195675  0.336364  1
  Fe  Fe10  1  0.571007  0.317582  0.327124  1
  Fe  Fe11  1  0.765588  0.349385  0.323587  1
  Fe  Fe12  1  0.210013  0.443764  0.308115  1
  Fe  Fe13  1  0.417944  0.521534  0.275991  1
  Fe  Fe14  1  0.629409  0.862583  0.292568  1
  Fe  Fe15  1  0.619960  0.627824  0.320370  1
  Fe  Fe16  1  0.827093  0.966657  0.334348  1
  Fe  Fe17  1  0.768569  0.580278  0.298636  1
  Fe  Fe18  1  0.378554  0.359626  0.320150  1
  Fe  Fe19  1  0.949596  0.282306  0.327844  1
  Fe  Fe20  1  0.397235  0.748923  0.278909  1
  Fe  Fe21  1  0.533180  0.041234  0.299627  1
  Fe  Fe22  1  0.991480  0.162154  0.289207  1
  Fe  Fe23  1  0.189844  0.191321  0.287570  1
  Fe  Fe24  1  0.635825  0.290337  0.273238  1
  Fe  Fe25  1  0.157840  0.989414  0.390518  1
  Fe  Fe26  1  0.371501  0.341106  0.407695  1
  Fe  Fe27  1  0.194405  0.784317  0.358849  1
  Fe  Fe28  1  0.405538  0.130529  0.374503  1
  Fe  Fe29  1  0.505789  0.060856  0.411664  1
  Fe  Fe30  1  0.948142  0.514868  0.358625  1
  Fe  Fe31  1  0.533511  0.443107  0.366275  1
  Fe  Fe32  1  0.138956  0.221885  0.393488  1
  Fe  Fe33  1  0.268342  0.509927  0.414334  1
  Fe  Fe34  1  0.727102  0.628781  0.405152  1
  Fe  Fe35  1  0.921376  0.661202  0.401683  1
  Fe  Fe36  1  0.367980  0.755463  0.387472  1
  Fe  Fe37  1  0.580449  0.832403  0.352222  1
  Fe  Fe38  1  0.792985  0.183341  0.369541  1
  Fe  Fe39  1  0.774454  0.941302  0.396742  1
  Fe  Fe40  1  0.983342  0.284919  0.412800  1
  Fe  Fe41  1  0.927506  0.904535  0.373018  1
  Fe  Fe42  1  0.529106  0.672071  0.397491  1
  Fe  Fe43  1  0.110194  0.599119  0.405721  1
  Fe  Fe44  1  0.560810  0.064864  0.355434  1
  Fe  Fe45  1  0.691272  0.355335  0.375296  1
  Fe  Fe46  1  0.147387  0.470022  0.366843  1
  Fe  Fe47  1  0.341956  0.502294  0.363170  1
  Fe  Fe48  1  0.790810  0.602274  0.348407  1
  Fe  Fe49  1  0.313941  0.301343  0.467134  1
  Fe  Fe50  1  0.527471  0.653440  0.484828  1
  Fe  Fe51  1  0.351997  0.097333  0.435189  1
  Fe  Fe52  1  0.562062  0.441919  0.451247  1
  Fe  Fe53  1  0.661841  0.373010  0.488474  1
  Fe  Fe54  1  0.107504  0.829416  0.435891  1
  Fe  Fe55  1  0.688974  0.756188  0.443929  1
  Fe  Fe56  1  0.295763  0.534739  0.470478  1
  Fe  Fe57  1  0.425272  0.823575  0.491178  1
  Fe  Fe58  1  0.883499  0.941462  0.482075  1
  Fe  Fe59  1  0.077622  0.973684  0.478460  1
  Fe  Fe60  1  0.524111  0.067909  0.463707  1
  Fe  Fe61  1  0.736007  0.145036  0.428718  1
  Fe  Fe62  1  0.948917  0.496785  0.446392  1
  Fe  Fe63  1  0.929691  0.253044  0.473726  1
  Fe  Fe64  1  0.140168  0.598562  0.489833  1
  Fe  Fe65  1  0.083506  0.216547  0.450085  1
  Fe  Fe66  1  0.685721  0.985582  0.474239  1
  Fe  Fe67  1  0.267054  0.912878  0.482356  1
  Fe  Fe68  1  0.717557  0.378329  0.431894  1
  Fe  Fe69  1  0.847197  0.667256  0.452632  1
  Fe  Fe70  1  0.305300  0.784886  0.443800  1
  Fe  Fe71  1  0.499239  0.816667  0.440217  1
  Fe  Fe72  1  0.945941  0.911873  0.425240  1
  Fe  Fe73  1  0.470148  0.613841  0.544174  1
  Fe  Fe74  1  0.683463  0.965485  0.561781  1
  Fe  Fe75  1  0.508052  0.409527  0.512112  1
  Fe  Fe76  1  0.718240  0.754863  0.528216  1
  Fe  Fe77  1  0.818406  0.685945  0.565353  1
  Fe  Fe78  1  0.263959  0.142144  0.512576  1
  Fe  Fe79  1  0.845061  0.069000  0.520738  1
  Fe  Fe80  1  0.452010  0.846994  0.547414  1
  Fe  Fe81  1  0.581656  0.136272  0.567883  1
  Fe  Fe82  1  0.040059  0.254217  0.558872  1
  Fe  Fe83  1  0.234158  0.286599  0.555451  1
  Fe  Fe84  1  0.680361  0.380555  0.540501  1
  Fe  Fe85  1  0.891879  0.457415  0.505596  1
  Fe  Fe86  1  0.105780  0.810071  0.523205  1
  Fe  Fe87  1  0.086216  0.566040  0.550584  1
  Fe  Fe88  1  0.296310  0.911338  0.566631  1
  Fe  Fe89  1  0.240164  0.529423  0.527090  1
  Fe  Fe90  1  0.842108  0.298320  0.551016  1
  Fe  Fe91  1  0.423235  0.225507  0.559153  1
  Fe  Fe92  1  0.873949  0.691187  0.508843  1
  Fe  Fe93  1  0.003519  0.980025  0.529543  1
  Fe  Fe94  1  0.461652  0.097924  0.520451  1
  Fe  Fe95  1  0.655727  0.129769  0.516906  1
  Fe  Fe96  1  0.102386  0.224298  0.502131  1
  Fe  Fe97  1  0.625934  0.923944  0.621305  1
  Fe  Fe98  1  0.840517  0.277982  0.638186  1
  Fe  Fe99  1  0.664499  0.721998  0.589010  1
  Fe  Fe100  1  0.875096  0.066978  0.605088  1
  Fe  Fe101  1  0.975725  1.000896  0.643198  1
  Fe  Fe102  1  0.420024  0.454774  0.589737  1
  Fe  Fe103  1  1.001989  0.381913  0.597405  1
  Fe  Fe104  1  0.608166  0.159087  0.623822  1
  Fe  Fe105  1  0.738033  0.449570  0.644334  1
  Fe  Fe106  1  0.196985  0.567708  0.636107  1
  Fe  Fe107  1  0.390644  0.599405  0.633282  1
  Fe  Fe108  1  0.837524  0.695428  0.617301  1
  Fe  Fe109  1  0.048627  0.771250  0.582335  1
  Fe  Fe110  1  0.261668  0.123088  0.600062  1
  Fe  Fe111  1  0.242070  0.878979  0.626992  1
  Fe  Fe112  1  0.452440  0.223878  0.643148  1
  Fe  Fe113  1  0.396270  0.841799  0.603855  1
  Fe  Fe114  1  0.999014  0.612089  0.627414  1
  Fe  Fe115  1  0.579513  0.538626  0.636030  1
  Fe  Fe116  1  0.030474  0.004170  0.585802  1
  Fe  Fe117  1  0.160128  0.293033  0.606736  1
  Fe  Fe118  1  0.617992  0.410833  0.597212  1
  Fe  Fe119  1  0.812172  0.442662  0.593446  1
  Fe  Fe120  1  0.259088  0.536934  0.579170  1
  Fe  Fe121  1  0.790100  0.244311  0.698725  1
  Fe  Fe122  1  0.996664  0.596501  0.714346  1
  Fe  Fe123  1  0.822569  0.037306  0.667161  1
  Fe  Fe124  1  0.033321  0.384929  0.680960  1
  Fe  Fe125  1  0.130850  0.318115  0.715762  1
  Fe  Fe126  1  0.576157  0.765391  0.667753  1
  Fe  Fe127  1  0.160642  0.695081  0.674701  1
  Fe  Fe128  1  0.762783  0.466705  0.701672  1
  Fe  Fe129  1  0.890538  0.752938  0.721463  1
  Fe  Fe130  1  0.347513  0.887135  0.711084  1
  Fe  Fe131  1  0.550290  0.919138  0.706245  1
  Fe  Fe132  1  0.992629  0.005975  0.694346  1
  Fe  Fe133  1  0.204082  0.085101  0.660700  1
  Fe  Fe134  1  0.420696  0.441729  0.676975  1
  Fe  Fe135  1  0.404202  0.198835  0.704285  1
  Fe  Fe136  1  0.614541  0.535940  0.719284  1
  Fe  Fe137  1  0.554336  0.154020  0.681380  1
  Fe  Fe138  1  0.146736  0.915167  0.706079  1
  Fe  Fe139  1  0.736288  0.845622  0.712582  1
  Fe  Fe140  1  0.186257  0.315764  0.664273  1
  Fe  Fe141  1  0.316781  0.608225  0.683944  1
  Fe  Fe142  1  0.771682  0.722213  0.674052  1
  Fe  Fe143  1  0.967848  0.756138  0.670804  1
  Fe  Fe144  1  0.414682  0.849490  0.656071  1
  P  P145  1  0.385627  0.011709  0.332604  1
  P  P146  1  0.115331  0.569860  0.327385  1
  P  P147  1  0.135347  0.919785  0.283051  1
  P  P148  1  0.872357  0.491496  0.276789  1
  P  P149  1  0.807761  0.849281  0.288751  1
  P  P150  1  0.546073  0.425744  0.283677  1
  P  P151  1  0.710933  0.078299  0.325191  1
  P  P152  1  0.440429  0.635340  0.319324  1
  P  P153  1  0.543873  0.326455  0.408426  1
  P  P154  1  0.273561  0.884414  0.402998  1
  P  P155  1  0.289958  0.237502  0.362945  1
  P  P156  1  0.021822  0.795570  0.356712  1
  P  P157  1  0.965122  0.168911  0.369719  1
  P  P158  1  0.696536  0.729685  0.364489  1
  P  P159  1  0.869193  0.394747  0.401433  1
  P  P160  1  0.598649  0.949826  0.395072  1
  P  P161  1  0.699758  0.638579  0.485563  1
  P  P162  1  0.430558  0.197817  0.479523  1
  P  P163  1  0.447354  0.550223  0.440092  1
  P  P164  1  0.176913  0.107162  0.433278  1
  P  P165  1  0.121179  0.481784  0.447236  1
  P  P166  1  0.852278  0.041177  0.441182  1
  P  P167  1  0.025570  0.707140  0.478516  1
  P  P168  1  0.754937  0.263085  0.471679  1
  P  P169  1  0.856332  0.951594  0.562401  1
  P  P170  1  0.586748  0.510472  0.556437  1
  P  P171  1  0.603717  0.863396  0.516990  1
  P  P172  1  0.333229  0.419601  0.510193  1
  P  P173  1  0.277977  0.794980  0.524072  1
  P  P174  1  0.008818  0.354096  0.518035  1
  P  P175  1  0.182090  0.020371  0.555297  1
  P  P176  1  0.911436  0.576090  0.548479  1
  P  P177  1  0.012675  0.263667  0.639099  1
  P  P178  1  0.743887  0.824379  0.633294  1
  P  P179  1  0.760290  0.175687  0.593700  1
  P  P180  1  0.489430  0.731803  0.587334  1
  P  P181  1  0.434280  0.107965  0.600747  1
  P  P182  1  0.165312  0.666652  0.594927  1
  P  P183  1  0.336927  0.331523  0.632594  1
  P  P184  1  0.067604  0.889533  0.625692  1
  P  P185  1  0.175811  0.582607  0.719284  1
  P  P186  1  0.902108  0.141084  0.713551  1
  P  P187  1  0.916561  0.489752  0.669567  1
  P  P188  1  0.648742  0.048328  0.663063  1
  P  P189  1  0.590660  0.416050  0.676875  1
  P  P190  1  0.319757  0.982139  0.670690  1
  P  P191  1  0.490704  0.647402  0.712951  1
  P  P192  1  0.229154  0.203029  0.705937  1
