# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81222207
_cell_length_b   12.29831338
_cell_length_c   47.99166703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.98866332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe56 P112'
_cell_volume   6954.68984152
_cell_formula_units_Z   56
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  0.181899  0.241842  0.290093  1
  Fe  Fe2  1  0.681899  0.741842  0.290093  1
  Fe  Fe3  1  0.668679  0.190043  0.320579  1
  Fe  Fe4  1  0.168679  0.690043  0.320579  1
  Fe  Fe5  1  0.445184  0.474343  0.289942  1
  Fe  Fe6  1  0.945184  0.974343  0.289942  1
  Fe  Fe7  1  0.914340  0.420286  0.318538  1
  Fe  Fe8  1  0.414340  0.920286  0.318538  1
  Fe  Fe9  1  0.128127  0.164200  0.342610  1
  Fe  Fe10  1  0.628127  0.664200  0.342610  1
  Fe  Fe11  1  0.592883  0.126147  0.376229  1
  Fe  Fe12  1  0.092883  0.626147  0.376229  1
  Fe  Fe13  1  0.385050  0.419917  0.343380  1
  Fe  Fe14  1  0.885050  0.919917  0.343380  1
  Fe  Fe15  1  0.841710  0.379687  0.376653  1
  Fe  Fe16  1  0.341710  0.879687  0.376653  1
  Fe  Fe17  1  0.053558  0.094641  0.411197  1
  Fe  Fe18  1  0.553558  0.594641  0.411197  1
  Fe  Fe19  1  0.526799  0.066547  0.434511  1
  Fe  Fe20  1  0.026799  0.566547  0.434511  1
  Fe  Fe21  1  0.303780  0.337374  0.410389  1
  Fe  Fe22  1  0.803780  0.837374  0.410389  1
  Fe  Fe23  1  0.777550  0.323819  0.436172  1
  Fe  Fe24  1  0.277550  0.823819  0.436172  1
  Fe  Fe25  1  0.985909  0.032330  0.467635  1
  Fe  Fe26  1  0.485909  0.532330  0.467635  1
  Fe  Fe27  1  0.444364  0.995417  0.505362  1
  Fe  Fe28  1  0.944364  0.495417  0.505362  1
  Fe  Fe29  1  0.238297  0.286136  0.468094  1
  Fe  Fe30  1  0.738297  0.786136  0.468094  1
  Fe  Fe31  1  0.691731  0.241472  0.504598  1
  Fe  Fe32  1  0.191731  0.741472  0.504598  1
  Fe  Fe33  1  0.903357  0.960359  0.538062  1
  Fe  Fe34  1  0.403357  0.460359  0.538062  1
  Fe  Fe35  1  0.377064  0.933988  0.561670  1
  Fe  Fe36  1  0.877064  0.433988  0.561670  1
  Fe  Fe37  1  0.152518  0.205377  0.537225  1
  Fe  Fe38  1  0.652518  0.705377  0.537225  1
  Fe  Fe39  1  0.628650  0.188569  0.562217  1
  Fe  Fe40  1  0.128650  0.688569  0.562217  1
  Fe  Fe41  1  0.836779  0.898881  0.596465  1
  Fe  Fe42  1  0.336779  0.398881  0.596465  1
  Fe  Fe43  1  0.299708  0.865289  0.630838  1
  Fe  Fe44  1  0.799708  0.365289  0.630838  1
  Fe  Fe45  1  0.087858  0.149260  0.596750  1
  Fe  Fe46  1  0.587858  0.649260  0.596750  1
  Fe  Fe47  1  0.547093  0.109202  0.629760  1
  Fe  Fe48  1  0.047093  0.609202  0.629760  1
  Fe  Fe49  1  0.772127  0.836820  0.655691  1
  Fe  Fe50  1  0.272127  0.336820  0.655691  1
  Fe  Fe51  1  0.226124  0.799338  0.684538  1
  Fe  Fe52  1  0.726124  0.299338  0.684538  1
  Fe  Fe53  1  0.021939  0.091979  0.656507  1
  Fe  Fe54  1  0.521939  0.591979  0.656507  1
  Fe  Fe55  1  0.477649  0.066575  0.685777  1
  Fe  Fe56  1  0.977649  0.566575  0.685777  1
  P  P57  1  0.548012  0.350941  0.315224  1
  P  P58  1  0.048012  0.850941  0.315224  1
  P  P59  1  0.068087  0.392884  0.283645  1
  P  P60  1  0.568087  0.892884  0.283645  1
  P  P61  1  0.278661  0.526828  0.308787  1
  P  P62  1  0.778661  0.026828  0.308787  1
  P  P63  1  0.748609  0.494069  0.339529  1
  P  P64  1  0.248609  0.994069  0.339529  1
  P  P65  1  0.549843  0.621743  0.297206  1
  P  P66  1  0.049843  0.121743  0.297206  1
  P  P67  1  0.011268  0.587664  0.330255  1
  P  P68  1  0.511268  0.087664  0.330255  1
  P  P69  1  0.288163  0.260605  0.327238  1
  P  P70  1  0.788163  0.760605  0.327238  1
  P  P71  1  0.818509  0.284783  0.295688  1
  P  P72  1  0.318509  0.784783  0.295688  1
  P  P73  1  0.470370  0.295896  0.379319  1
  P  P74  1  0.970370  0.795896  0.379319  1
  P  P75  1  0.012325  0.325428  0.350696  1
  P  P76  1  0.512325  0.825428  0.350696  1
  P  P77  1  0.218653  0.458586  0.373132  1
  P  P78  1  0.718653  0.958586  0.373132  1
  P  P79  1  0.675689  0.431519  0.403243  1
  P  P80  1  0.175689  0.931519  0.403243  1
  P  P81  1  0.479244  0.564840  0.362925  1
  P  P82  1  0.979244  0.064840  0.362925  1
  P  P83  1  0.937906  0.531992  0.393230  1
  P  P84  1  0.437906  0.031992  0.393230  1
  P  P85  1  0.209868  0.190866  0.389822  1
  P  P86  1  0.709868  0.690866  0.389822  1
  P  P87  1  0.751148  0.223823  0.360392  1
  P  P88  1  0.251148  0.723823  0.360392  1
  P  P89  1  0.405028  0.228709  0.443074  1
  P  P90  1  0.905028  0.728709  0.443074  1
  P  P91  1  0.939613  0.262681  0.411710  1
  P  P92  1  0.439613  0.762681  0.411710  1
  P  P93  1  0.139150  0.398537  0.435604  1
  P  P94  1  0.639150  0.898537  0.435604  1
  P  P95  1  0.609800  0.363633  0.466961  1
  P  P96  1  0.109800  0.863633  0.466961  1
  P  P97  1  0.400495  0.495398  0.425145  1
  P  P98  1  0.900495  0.995398  0.425145  1
  P  P99  1  0.871827  0.467895  0.457184  1
  P  P100  1  0.371827  0.967895  0.457184  1
  P  P101  1  0.141472  0.129315  0.453587  1
  P  P102  1  0.641472  0.629315  0.453587  1
  P  P103  1  0.677647  0.165027  0.421476  1
  P  P104  1  0.177647  0.665027  0.421476  1
  P  P105  1  0.320501  0.164802  0.505885  1
  P  P106  1  0.820501  0.664802  0.505885  1
  P  P107  1  0.859960  0.198945  0.474061  1
  P  P108  1  0.359960  0.698945  0.474061  1
  P  P109  1  0.070171  0.328411  0.498936  1
  P  P110  1  0.570171  0.828411  0.498936  1
  P  P111  1  0.525882  0.299239  0.529548  1
  P  P112  1  0.025882  0.799239  0.529548  1
  P  P113  1  0.332025  0.433810  0.488848  1
  P  P114  1  0.832025  0.933810  0.488848  1
  P  P115  1  0.789204  0.398333  0.519223  1
  P  P116  1  0.289204  0.898333  0.519223  1
  P  P117  1  0.058830  0.060651  0.515663  1
  P  P118  1  0.558830  0.560651  0.515663  1
  P  P119  1  0.597862  0.093653  0.483945  1
  P  P120  1  0.097862  0.593653  0.483945  1
  P  P121  1  0.254737  0.096691  0.569243  1
  P  P122  1  0.754737  0.596691  0.569243  1
  P  P123  1  0.791756  0.128611  0.537118  1
  P  P124  1  0.291756  0.628611  0.537118  1
  P  P125  1  0.990651  0.264769  0.561905  1
  P  P126  1  0.490651  0.764769  0.561905  1
  P  P127  1  0.461104  0.230731  0.592492  1
  P  P128  1  0.961104  0.730731  0.592492  1
  P  P129  1  0.252111  0.362654  0.551783  1
  P  P130  1  0.752111  0.862654  0.551783  1
  P  P131  1  0.722569  0.335418  0.582839  1
  P  P132  1  0.222569  0.835418  0.582839  1
  P  P133  1  0.992881  0.996150  0.579310  1
  P  P134  1  0.492881  0.496150  0.579310  1
  P  P135  1  0.530631  0.031699  0.547562  1
  P  P136  1  0.030631  0.531699  0.547562  1
  P  P137  1  0.183527  0.033218  0.631411  1
  P  P138  1  0.683527  0.533218  0.631411  1
  P  P139  1  0.713725  0.067608  0.599986  1
  P  P140  1  0.213725  0.567608  0.599986  1
  P  P141  1  0.921116  0.201363  0.624312  1
  P  P142  1  0.421116  0.701363  0.624312  1
  P  P143  1  0.382263  0.170144  0.654151  1
  P  P144  1  0.882263  0.670144  0.654151  1
  P  P145  1  0.181378  0.302597  0.614130  1
  P  P146  1  0.681378  0.802597  0.614130  1
  P  P147  1  0.642588  0.266981  0.644197  1
  P  P148  1  0.142588  0.766981  0.644197  1
  P  P149  1  0.921039  0.936328  0.640878  1
  P  P150  1  0.421039  0.436328  0.640878  1
  P  P151  1  0.452516  0.962152  0.609763  1
  P  P152  1  0.952516  0.462152  0.609763  1
  P  P153  1  0.105024  0.966057  0.693973  1
  P  P154  1  0.605024  0.466057  0.693973  1
  P  P155  1  0.646161  0.998905  0.663698  1
  P  P156  1  0.146161  0.498905  0.663698  1
  P  P157  1  0.855838  0.135319  0.688231  1
  P  P158  1  0.355838  0.635319  0.688231  1
  P  P159  1  0.324737  0.099287  0.717590  1
  P  P160  1  0.824737  0.599287  0.717590  1
  P  P161  1  0.117657  0.235252  0.678405  1
  P  P162  1  0.617657  0.735252  0.678405  1
  P  P163  1  0.581960  0.200312  0.708935  1
  P  P164  1  0.081960  0.700312  0.708935  1
  P  P165  1  0.843878  0.864019  0.702573  1
  P  P166  1  0.343878  0.364019  0.702573  1
  P  P167  1  0.385613  0.899104  0.674682  1
  P  P168  1  0.885613  0.399104  0.674682  1
