# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77133865
_cell_length_b   6.75125661
_cell_length_c   49.67086803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.66563758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe32 P64'
_cell_volume   3915.11236428
_cell_formula_units_Z   32
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  0.698645  0.969266  0.283143  1
  Fe  Fe2  1  0.205273  0.838729  0.309516  1
  Fe  Fe3  1  0.949770  0.401016  0.296931  1
  Fe  Fe4  1  0.418058  0.288805  0.319406  1
  Fe  Fe5  1  0.652511  0.755426  0.331165  1
  Fe  Fe6  1  0.131202  0.650160  0.355904  1
  Fe  Fe7  1  0.897589  0.202040  0.345508  1
  Fe  Fe8  1  0.368560  0.106757  0.371238  1
  Fe  Fe9  1  0.597844  0.554222  0.382989  1
  Fe  Fe10  1  0.065782  0.411272  0.417027  1
  Fe  Fe11  1  0.837450  0.993803  0.396592  1
  Fe  Fe12  1  0.299657  0.851736  0.431538  1
  Fe  Fe13  1  0.538880  0.297276  0.445351  1
  Fe  Fe14  1  0.012958  0.217976  0.467885  1
  Fe  Fe15  1  0.771557  0.748684  0.459106  1
  Fe  Fe16  1  0.246000  0.653153  0.484247  1
  Fe  Fe17  1  0.481338  0.099655  0.497945  1
  Fe  Fe18  1  0.949304  0.981165  0.528238  1
  Fe  Fe19  1  0.716450  0.546262  0.511795  1
  Fe  Fe20  1  0.190776  0.450640  0.536930  1
  Fe  Fe21  1  0.423898  0.902346  0.550524  1
  Fe  Fe22  1  0.896520  0.787592  0.579070  1
  Fe  Fe23  1  0.663446  0.346218  0.564481  1
  Fe  Fe24  1  0.125923  0.206493  0.599660  1
  Fe  Fe25  1  0.365396  0.645600  0.612247  1
  Fe  Fe26  1  0.831291  0.549104  0.640128  1
  Fe  Fe27  1  0.592944  0.092823  0.625192  1
  Fe  Fe28  1  0.068704  0.005018  0.651014  1
  Fe  Fe29  1  0.310875  0.447734  0.662953  1
  Fe  Fe30  1  0.759737  0.355559  0.686692  1
  Fe  Fe31  1  0.543940  0.905364  0.676947  1
  Fe  Fe32  1  0.014217  0.795365  0.698956  1
  P  P33  1  0.062446  0.138912  0.313024  1
  P  P34  1  0.579447  0.256672  0.286103  1
  P  P35  1  0.783377  0.459023  0.317505  1
  P  P36  1  0.318760  0.555428  0.289974  1
  P  P37  1  0.046494  0.650055  0.311559  1
  P  P38  1  0.572292  0.753614  0.285006  1
  P  P39  1  0.809030  0.952921  0.318999  1
  P  P40  1  0.333222  0.055244  0.291511  1
  P  P41  1  0.004417  0.936982  0.370275  1
  P  P42  1  0.530370  0.045661  0.343909  1
  P  P43  1  0.727427  0.250157  0.373230  1
  P  P44  1  0.252113  0.344113  0.346595  1
  P  P45  1  0.987160  0.442499  0.370590  1
  P  P46  1  0.509492  0.547023  0.340980  1
  P  P47  1  0.747942  0.741773  0.374208  1
  P  P48  1  0.283805  0.840330  0.349784  1
  P  P49  1  0.934623  0.719115  0.426256  1
  P  P50  1  0.467312  0.831096  0.399614  1
  P  P51  1  0.673494  0.019765  0.429640  1
  P  P52  1  0.203311  0.127909  0.402795  1
  P  P53  1  0.919972  0.218678  0.425398  1
  P  P54  1  0.456471  0.335969  0.398573  1
  P  P55  1  0.681246  0.520387  0.430043  1
  P  P56  1  0.210890  0.623890  0.403204  1
  P  P57  1  0.882057  0.497873  0.482494  1
  P  P58  1  0.411976  0.601461  0.455098  1
  P  P59  1  0.608807  0.805420  0.485612  1
  P  P60  1  0.134963  0.911892  0.458127  1
  P  P61  1  0.866940  0.003147  0.481925  1
  P  P62  1  0.392499  0.106014  0.453895  1
  P  P63  1  0.630026  0.299879  0.486696  1
  P  P64  1  0.157887  0.410170  0.459108  1
  P  P65  1  0.827490  0.287261  0.537956  1
  P  P66  1  0.353780  0.393809  0.510306  1
  P  P67  1  0.550622  0.597608  0.540886  1
  P  P68  1  0.080321  0.701641  0.513586  1
  P  P69  1  0.804456  0.788912  0.537038  1
  P  P70  1  0.332595  0.899704  0.509210  1
  P  P71  1  0.570413  0.093316  0.541951  1
  P  P72  1  0.095412  0.196109  0.514165  1
  P  P73  1  0.759561  0.070912  0.593495  1
  P  P74  1  0.289279  0.179765  0.566274  1
  P  P75  1  0.495989  0.367058  0.596293  1
  P  P76  1  0.027671  0.480577  0.569811  1
  P  P77  1  0.751579  0.574285  0.593009  1
  P  P78  1  0.281416  0.678909  0.565745  1
  P  P79  1  0.506742  0.864360  0.597209  1
  P  P80  1  0.042484  0.981505  0.570712  1
  P  P81  1  0.709429  0.851142  0.649639  1
  P  P82  1  0.235494  0.949092  0.622316  1
  P  P83  1  0.430653  0.151653  0.652286  1
  P  P84  1  0.960096  0.264198  0.626014  1
  P  P85  1  0.679951  0.353654  0.646563  1
  P  P86  1  0.213915  0.457573  0.621472  1
  P  P87  1  0.454920  0.649846  0.654066  1
  P  P88  1  0.975083  0.760161  0.625473  1
  P  P89  1  0.642171  0.634372  0.705980  1
  P  P90  1  0.178725  0.735837  0.677547  1
  P  P91  1  0.385851  0.931535  0.708347  1
  P  P92  1  0.901904  0.056632  0.682591  1
  P  P93  1  0.632468  0.135685  0.704838  1
  P  P94  1  0.161979  0.240332  0.678455  1
  P  P95  1  0.385945  0.429640  0.708142  1
  P  P96  1  0.918512  0.543918  0.684209  1
