# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.76060073
_cell_length_b   8.68999710
_cell_length_c   48.17262306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.11499836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe120 P60'
_cell_volume   4469.43472011
_cell_formula_units_Z   60
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  0.285371  0.592686  0.300786  1
  Fe  Fe2  1  0.785371  0.592686  0.300786  1
  Fe  Fe3  1  0.986682  0.252350  0.308424  1
  Fe  Fe4  1  0.486682  0.252350  0.308424  1
  Fe  Fe5  1  0.192168  1.000163  0.301311  1
  Fe  Fe6  1  0.692168  1.000163  0.301311  1
  Fe  Fe7  1  0.357498  0.381354  0.305832  1
  Fe  Fe8  1  0.857498  0.381354  0.305832  1
  Fe  Fe9  1  0.488361  0.708168  0.271004  1
  Fe  Fe10  1  0.988361  0.708168  0.271004  1
  Fe  Fe11  1  0.119437  0.645433  0.305161  1
  Fe  Fe12  1  0.619437  0.645433  0.305161  1
  Fe  Fe13  1  0.295178  0.868733  0.340450  1
  Fe  Fe14  1  0.795178  0.868733  0.340450  1
  Fe  Fe15  1  1.000651  0.518327  0.352047  1
  Fe  Fe16  1  0.500651  0.518327  0.352047  1
  Fe  Fe17  1  0.174975  0.250869  0.340348  1
  Fe  Fe18  1  0.674975  0.250869  0.340348  1
  Fe  Fe19  1  0.354472  0.626835  0.351246  1
  Fe  Fe20  1  0.854472  0.626835  0.351246  1
  Fe  Fe21  1  0.487358  0.962280  0.314095  1
  Fe  Fe22  1  0.987358  0.962280  0.314095  1
  Fe  Fe23  1  0.122147  0.898535  0.350805  1
  Fe  Fe24  1  0.622147  0.898535  0.350805  1
  Fe  Fe25  1  0.284454  0.088357  0.390876  1
  Fe  Fe26  1  0.784454  0.088357  0.390876  1
  Fe  Fe27  1  0.999478  0.763081  0.397544  1
  Fe  Fe28  1  0.499478  0.763081  0.397544  1
  Fe  Fe29  1  0.176991  0.491792  0.388522  1
  Fe  Fe30  1  0.676991  0.491792  0.388522  1
  Fe  Fe31  1  0.355077  0.874034  0.396575  1
  Fe  Fe32  1  0.855077  0.874034  0.396575  1
  Fe  Fe33  1  0.486775  0.207087  0.359636  1
  Fe  Fe34  1  0.986775  0.207087  0.359636  1
  Fe  Fe35  1  0.120888  0.144867  0.395904  1
  Fe  Fe36  1  0.620888  0.144867  0.395904  1
  Fe  Fe37  1  0.283960  0.338291  0.435446  1
  Fe  Fe38  1  0.783960  0.338291  0.435446  1
  Fe  Fe39  1  0.999222  0.013735  0.442714  1
  Fe  Fe40  1  0.499222  0.013735  0.442714  1
  Fe  Fe41  1  0.177647  0.746617  0.432687  1
  Fe  Fe42  1  0.677647  0.746617  0.432687  1
  Fe  Fe43  1  0.355582  0.123218  0.442128  1
  Fe  Fe44  1  0.855582  0.123218  0.442128  1
  Fe  Fe45  1  0.485895  0.456795  0.405524  1
  Fe  Fe46  1  0.985895  0.456795  0.405524  1
  Fe  Fe47  1  0.120560  0.392798  0.441248  1
  Fe  Fe48  1  0.620560  0.392798  0.441248  1
  Fe  Fe49  1  0.283513  0.583560  0.481388  1
  Fe  Fe50  1  0.783513  0.583560  0.481388  1
  Fe  Fe51  1  0.998312  0.260525  0.488145  1
  Fe  Fe52  1  0.498312  0.260525  0.488145  1
  Fe  Fe53  1  0.178430  0.995951  0.478275  1
  Fe  Fe54  1  0.678430  0.995951  0.478275  1
  Fe  Fe55  1  0.355690  0.371676  0.487574  1
  Fe  Fe56  1  0.855690  0.371676  0.487574  1
  Fe  Fe57  1  0.484817  0.703336  0.450827  1
  Fe  Fe58  1  0.984817  0.703336  0.450827  1
  Fe  Fe59  1  0.120637  0.641054  0.486715  1
  Fe  Fe60  1  0.620637  0.641054  0.486715  1
  Fe  Fe61  1  0.283490  0.831953  0.526773  1
  Fe  Fe62  1  0.783490  0.831953  0.526773  1
  Fe  Fe63  1  0.998418  0.509476  0.533562  1
  Fe  Fe64  1  0.498418  0.509476  0.533562  1
  Fe  Fe65  1  0.178468  0.244436  0.523714  1
  Fe  Fe66  1  0.678468  0.244436  0.523714  1
  Fe  Fe67  1  0.355908  0.620048  0.533006  1
  Fe  Fe68  1  0.855908  0.620048  0.533006  1
  Fe  Fe69  1  0.484177  0.951542  0.496294  1
  Fe  Fe70  1  0.984177  0.951542  0.496294  1
  Fe  Fe71  1  0.120547  0.889109  0.532266  1
  Fe  Fe72  1  0.620547  0.889109  0.532266  1
  Fe  Fe73  1  0.282836  0.079004  0.572630  1
  Fe  Fe74  1  0.782836  0.079004  0.572630  1
  Fe  Fe75  1  0.998847  0.758490  0.578881  1
  Fe  Fe76  1  0.498847  0.758490  0.578881  1
  Fe  Fe77  1  0.179061  0.492898  0.569251  1
  Fe  Fe78  1  0.679061  0.492898  0.569251  1
  Fe  Fe79  1  0.356145  0.868436  0.578262  1
  Fe  Fe80  1  0.856145  0.868436  0.578262  1
  Fe  Fe81  1  0.483977  0.199924  0.541738  1
  Fe  Fe82  1  0.983977  0.199924  0.541738  1
  Fe  Fe83  1  0.120254  0.136099  0.577687  1
  Fe  Fe84  1  0.620254  0.136099  0.577687  1
  Fe  Fe85  1  0.282980  0.325926  0.617793  1
  Fe  Fe86  1  0.782980  0.325926  0.617793  1
  Fe  Fe87  1  0.993537  0.004942  0.622920  1
  Fe  Fe88  1  0.493537  0.004942  0.622920  1
  Fe  Fe89  1  0.181112  0.741538  0.614358  1
  Fe  Fe90  1  0.681112  0.741538  0.614358  1
  Fe  Fe91  1  0.356337  0.118565  0.624149  1
  Fe  Fe92  1  0.856337  0.118565  0.624149  1
  Fe  Fe93  1  0.484030  0.448158  0.587188  1
  Fe  Fe94  1  0.984030  0.448158  0.587188  1
  Fe  Fe95  1  0.119834  0.384341  0.623667  1
  Fe  Fe96  1  0.619834  0.384341  0.623667  1
  Fe  Fe97  1  0.277659  0.567196  0.663994  1
  Fe  Fe98  1  0.777659  0.567196  0.663994  1
  Fe  Fe99  1  0.987632  0.240501  0.672171  1
  Fe  Fe100  1  0.487632  0.240501  0.672171  1
  Fe  Fe101  1  0.197655  0.993532  0.663371  1
  Fe  Fe102  1  0.697655  0.993532  0.663371  1
  Fe  Fe103  1  0.357452  0.365264  0.669982  1
  Fe  Fe104  1  0.857452  0.365264  0.669982  1
  Fe  Fe105  1  0.484986  0.696391  0.631750  1
  Fe  Fe106  1  0.984986  0.696391  0.631750  1
  Fe  Fe107  1  0.121203  0.630311  0.668538  1
  Fe  Fe108  1  0.621203  0.630311  0.668538  1
  Fe  Fe109  1  0.290399  0.844901  0.703523  1
  Fe  Fe110  1  0.790399  0.844901  0.703523  1
  Fe  Fe111  1  0.006205  0.519459  0.713103  1
  Fe  Fe112  1  0.506205  0.519459  0.713103  1
  Fe  Fe113  1  0.176453  0.230195  0.703560  1
  Fe  Fe114  1  0.676453  0.230195  0.703560  1
  Fe  Fe115  1  0.365361  0.626819  0.713913  1
  Fe  Fe116  1  0.865361  0.626819  0.713913  1
  Fe  Fe117  1  0.485121  0.946656  0.679452  1
  Fe  Fe118  1  0.985121  0.946656  0.679452  1
  Fe  Fe119  1  0.115057  0.881177  0.713239  1
  Fe  Fe120  1  0.615057  0.881177  0.713239  1
  P  P121  1  0.155713  0.239872  0.288347  1
  P  P122  1  0.655713  0.239872  0.288347  1
  P  P123  1  0.321123  0.906044  0.288363  1
  P  P124  1  0.821123  0.906044  0.288363  1
  P  P125  1  0.488063  0.422848  0.268968  1
  P  P126  1  0.988063  0.422848  0.268968  1
  P  P127  1  0.156942  0.498116  0.338380  1
  P  P128  1  0.656942  0.498116  0.338380  1
  P  P129  1  0.321483  0.165102  0.339483  1
  P  P130  1  0.821483  0.165102  0.339483  1
  P  P131  1  0.487343  0.701499  0.316799  1
  P  P132  1  0.987343  0.701499  0.316799  1
  P  P133  1  0.157649  0.745358  0.383380  1
  P  P134  1  0.657649  0.745358  0.383380  1
  P  P135  1  0.320874  0.409583  0.383988  1
  P  P136  1  0.820874  0.409583  0.383988  1
  P  P137  1  0.485971  0.948819  0.361803  1
  P  P138  1  0.985971  0.948819  0.361803  1
  P  P139  1  0.154158  0.991144  0.429587  1
  P  P140  1  0.654158  0.991144  0.429587  1
  P  P141  1  0.320992  0.658339  0.429713  1
  P  P142  1  0.820992  0.658339  0.429713  1
  P  P143  1  0.485560  0.198185  0.406752  1
  P  P144  1  0.985560  0.198185  0.406752  1
  P  P145  1  0.154120  0.239282  0.475021  1
  P  P146  1  0.654120  0.239282  0.475021  1
  P  P147  1  0.319964  0.904905  0.475026  1
  P  P148  1  0.819964  0.904905  0.475026  1
  P  P149  1  0.486300  0.447257  0.452373  1
  P  P150  1  0.986300  0.447257  0.452373  1
  P  P151  1  0.153612  0.487080  0.520501  1
  P  P152  1  0.653612  0.487080  0.520501  1
  P  P153  1  0.319815  0.153074  0.520554  1
  P  P154  1  0.819815  0.153074  0.520554  1
  P  P155  1  0.486725  0.696482  0.497669  1
  P  P156  1  0.986725  0.696482  0.497669  1
  P  P157  1  0.154001  0.735782  0.565967  1
  P  P158  1  0.654001  0.735782  0.565967  1
  P  P159  1  0.319267  0.400489  0.565955  1
  P  P160  1  0.819267  0.400489  0.565955  1
  P  P161  1  0.486827  0.945217  0.542983  1
  P  P162  1  0.986827  0.945217  0.542983  1
  P  P163  1  0.153488  0.982393  0.612452  1
  P  P164  1  0.653488  0.982393  0.612452  1
  P  P165  1  0.319435  0.647143  0.611582  1
  P  P166  1  0.819435  0.647143  0.611582  1
  P  P167  1  0.487281  0.194627  0.588491  1
  P  P168  1  0.987281  0.194627  0.588491  1
  P  P169  1  0.152043  0.230132  0.656781  1
  P  P170  1  0.652043  0.230132  0.656781  1
  P  P171  1  0.321271  0.897367  0.656116  1
  P  P172  1  0.821271  0.897367  0.656116  1
  P  P173  1  0.487502  0.442533  0.633988  1
  P  P174  1  0.987502  0.442533  0.633988  1
  P  P175  1  0.153948  0.482329  0.707058  1
  P  P176  1  0.653948  0.482329  0.707058  1
  P  P177  1  0.327724  0.161908  0.707014  1
  P  P178  1  0.827724  0.161908  0.707014  1
  P  P179  1  0.487526  0.697562  0.677730  1
  P  P180  1  0.987526  0.697562  0.677730  1
