# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06770038
_cell_length_b   16.31345011
_cell_length_c   54.96139389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe72 P36'
_cell_volume   2750.53070246
_cell_formula_units_Z   36
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  1.001955  0.321926  0.317413  1
  Fe  Fe2  1  1.001955  0.968852  0.355337  1
  Fe  Fe3  1  1.001955  0.692943  0.289214  1
  Fe  Fe4  1  1.001955  0.132907  0.300159  1
  Fe  Fe5  1  1.001955  0.790506  0.334512  1
  Fe  Fe6  1  1.001955  0.430303  0.372052  1
  Fe  Fe7  1  1.001955  0.221959  0.372844  1
  Fe  Fe8  1  1.001955  0.939425  0.300104  1
  Fe  Fe9  1  1.001955  0.577397  0.334607  1
  Fe  Fe10  1  0.501955  0.388778  0.284452  1
  Fe  Fe11  1  0.501955  0.036920  0.322971  1
  Fe  Fe12  1  0.501955  0.678444  0.360485  1
  Fe  Fe13  1  0.501955  0.446086  0.333361  1
  Fe  Fe14  1  0.501955  0.090960  0.372488  1
  Fe  Fe15  1  0.501955  0.812971  0.295044  1
  Fe  Fe16  1  0.501955  0.205314  0.331527  1
  Fe  Fe17  1  0.501955  0.850886  0.370617  1
  Fe  Fe18  1  0.501955  0.567819  0.294290  1
  Fe  Fe19  1  1.001955  0.254107  0.428723  1
  Fe  Fe20  1  1.001955  0.896166  0.465634  1
  Fe  Fe21  1  1.001955  0.609716  0.390990  1
  Fe  Fe22  1  1.001955  0.076886  0.410587  1
  Fe  Fe23  1  1.001955  0.717471  0.446569  1
  Fe  Fe24  1  1.001955  0.361363  0.483807  1
  Fe  Fe25  1  1.001955  0.148198  0.484322  1
  Fe  Fe26  1  1.001955  0.861409  0.410532  1
  Fe  Fe27  1  1.001955  0.504873  0.446885  1
  Fe  Fe28  1  0.501955  0.323599  0.395654  1
  Fe  Fe29  1  0.501955  0.965541  0.433565  1
  Fe  Fe30  1  0.501955  0.608212  0.469748  1
  Fe  Fe31  1  0.501955  0.376660  0.445441  1
  Fe  Fe32  1  0.501955  0.019456  0.482753  1
  Fe  Fe33  1  0.501955  0.732849  0.408260  1
  Fe  Fe34  1  0.501955  0.135724  0.444092  1
  Fe  Fe35  1  0.501955  0.777754  0.480840  1
  Fe  Fe36  1  0.501955  0.492217  0.406236  1
  Fe  Fe37  1  1.001955  0.181890  0.540284  1
  Fe  Fe38  1  1.001955  0.825605  0.576691  1
  Fe  Fe39  1  1.001955  0.538910  0.502566  1
  Fe  Fe40  1  1.001955  0.004506  0.520867  1
  Fe  Fe41  1  1.001955  0.647288  0.557727  1
  Fe  Fe42  1  1.001955  0.290701  0.595118  1
  Fe  Fe43  1  1.001955  0.075249  0.594495  1
  Fe  Fe44  1  1.001955  0.790210  0.520949  1
  Fe  Fe45  1  1.001955  0.433635  0.558034  1
  Fe  Fe46  1  0.501955  0.251511  0.507130  1
  Fe  Fe47  1  0.501955  0.894176  0.543785  1
  Fe  Fe48  1  0.501955  0.537332  0.580802  1
  Fe  Fe49  1  0.501955  0.304724  0.556722  1
  Fe  Fe50  1  0.501955  0.951200  0.593904  1
  Fe  Fe51  1  0.501955  0.662123  0.519420  1
  Fe  Fe52  1  0.501955  0.064105  0.555167  1
  Fe  Fe53  1  0.501955  0.706179  0.591509  1
  Fe  Fe54  1  0.501955  0.420718  0.517811  1
  Fe  Fe55  1  1.001955  0.117590  0.658173  1
  Fe  Fe56  1  1.001955  0.752429  0.688568  1
  Fe  Fe57  1  1.001955  0.467492  0.613293  1
  Fe  Fe58  1  1.001955  0.932683  0.630889  1
  Fe  Fe59  1  1.001955  0.576450  0.670064  1
  Fe  Fe60  1  1.001955  0.221043  0.704061  1
  Fe  Fe61  1  1.001955  0.001222  0.703336  1
  Fe  Fe62  1  1.001955  0.719825  0.631149  1
  Fe  Fe63  1  1.001955  0.362684  0.669297  1
  Fe  Fe64  1  0.501955  0.179852  0.618821  1
  Fe  Fe65  1  0.501955  0.822821  0.653777  1
  Fe  Fe66  1  0.501955  0.472223  0.690749  1
  Fe  Fe67  1  0.501955  0.238547  0.669003  1
  Fe  Fe68  1  0.501955  0.872006  0.705528  1
  Fe  Fe69  1  0.501955  0.591394  0.630527  1
  Fe  Fe70  1  0.501955  0.993644  0.666243  1
  Fe  Fe71  1  0.501955  0.638616  0.702781  1
  Fe  Fe72  1  0.501955  0.349395  0.629062  1
  P  P73  1  0.501955  0.246962  0.290499  1
  P  P74  1  0.501955  0.896665  0.331026  1
  P  P75  1  0.501955  0.538008  0.365840  1
  P  P76  1  0.501955  0.324109  0.353699  1
  P  P77  1  0.501955  0.038156  0.279846  1
  P  P78  1  0.501955  0.684389  0.320361  1
  P  P79  1  1.001955  0.467881  0.304324  1
  P  P80  1  1.001955  0.112119  0.343640  1
  P  P81  1  0.001955  0.755234  0.378896  1
  P  P82  1  0.501955  0.184227  0.403911  1
  P  P83  1  0.501955  0.824930  0.440912  1
  P  P84  1  0.501955  0.468726  0.477721  1
  P  P85  1  0.501955  0.254516  0.465514  1
  P  P86  1  0.501955  0.969034  0.392316  1
  P  P87  1  0.501955  0.610666  0.428108  1
  P  P88  1  1.001955  0.397317  0.416063  1
  P  P89  1  1.001955  0.040198  0.453565  1
  P  P90  1  1.001955  0.682181  0.490071  1
  P  P91  1  0.501955  0.111965  0.515095  1
  P  P92  1  0.501955  0.754844  0.551704  1
  P  P93  1  0.501955  0.397405  0.588814  1
  P  P94  1  0.501955  0.183190  0.577133  1
  P  P95  1  0.501955  0.897043  0.502383  1
  P  P96  1  0.501955  0.539949  0.539306  1
  P  P97  1  1.001955  0.325384  0.527396  1
  P  P98  1  1.001955  0.967724  0.564040  1
  P  P99  1  1.001955  0.610812  0.601218  1
  P  P100  1  0.501955  0.045319  0.627871  1
  P  P101  1  0.501955  0.684674  0.662131  1
  P  P102  1  0.501955  0.336269  0.703202  1
  P  P103  1  0.501955  0.110437  0.692575  1
  P  P104  1  0.501955  0.826709  0.612593  1
  P  P105  1  0.501955  0.469356  0.649875  1
  P  P106  1  1.001955  0.253688  0.638552  1
  P  P107  1  1.001955  0.894637  0.673937  1
  P  P108  1  1.001955  0.536606  0.714916  1
