# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92302010
_cell_length_b   11.79946453
_cell_length_c   49.70043497
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe28 P56'
_cell_volume   3473.487139
_cell_formula_units_Z   28
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  0.035070  0.144763  0.314938  1
  Fe  Fe2  1  0.961849  0.689541  0.287826  1
  Fe  Fe3  1  0.488444  0.867965  0.330497  1
  Fe  Fe4  1  0.487326  0.405230  0.299632  1
  Fe  Fe5  1  0.994619  0.070292  0.369466  1
  Fe  Fe6  1  0.981441  0.603254  0.342586  1
  Fe  Fe7  1  0.501868  0.801328  0.389229  1
  Fe  Fe8  1  0.506891  0.342644  0.353022  1
  Fe  Fe9  1  0.005982  0.987800  0.438615  1
  Fe  Fe10  1  0.007162  0.529502  0.403489  1
  Fe  Fe11  1  0.505586  0.729056  0.447410  1
  Fe  Fe12  1  0.495409  0.258076  0.421896  1
  Fe  Fe13  1  0.003679  0.916888  0.495544  1
  Fe  Fe14  1  0.997935  0.460066  0.462475  1
  Fe  Fe15  1  0.503876  0.640602  0.516945  1
  Fe  Fe16  1  0.516307  0.188859  0.478912  1
  Fe  Fe17  1  0.005897  0.828994  0.565171  1
  Fe  Fe18  1  0.013117  0.368494  0.533248  1
  Fe  Fe19  1  0.507226  0.569463  0.573969  1
  Fe  Fe20  1  0.496294  0.096922  0.548846  1
  Fe  Fe21  1  0.012002  0.759943  0.623936  1
  Fe  Fe22  1  1.002444  0.298755  0.592038  1
  Fe  Fe23  1  0.502239  0.488118  0.642110  1
  Fe  Fe24  1  0.510967  0.028977  0.607683  1
  Fe  Fe25  1  0.979632  0.685455  0.680859  1
  Fe  Fe26  1  0.023814  0.229088  0.651444  1
  Fe  Fe27  1  0.506507  0.422930  0.695753  1
  Fe  Fe28  1  0.526572  0.963552  0.667007  1
  P  P29  1  0.610197  0.774304  0.287447  1
  P  P30  1  0.670475  0.245697  0.314535  1
  P  P31  1  0.328185  0.026481  0.300935  1
  P  P32  1  0.334932  0.508308  0.332251  1
  P  P33  1  0.137224  0.772547  0.321478  1
  P  P34  1  0.169782  0.299920  0.285405  1
  P  P35  1  0.824259  0.983405  0.330693  1
  P  P36  1  0.836369  0.516791  0.299322  1
  P  P37  1  0.647760  0.711600  0.351063  1
  P  P38  1  0.658160  0.180403  0.379222  1
  P  P39  1  0.339515  0.964011  0.366315  1
  P  P40  1  0.346934  0.421682  0.395429  1
  P  P41  1  0.153257  0.691417  0.382256  1
  P  P42  1  0.167538  0.234468  0.350552  1
  P  P43  1  0.846387  0.911459  0.395232  1
  P  P44  1  0.842683  0.444240  0.363226  1
  P  P45  1  0.660683  0.635519  0.411334  1
  P  P46  1  0.667301  0.097645  0.442030  1
  P  P47  1  0.342088  0.887840  0.428137  1
  P  P48  1  0.342575  0.350575  0.459205  1
  P  P49  1  0.166382  0.617302  0.443853  1
  P  P50  1  0.156816  0.151412  0.412467  1
  P  P51  1  0.842038  0.827831  0.458075  1
  P  P52  1  0.841381  0.368291  0.425597  1
  P  P53  1  0.662076  0.565566  0.474348  1
  P  P54  1  0.660572  0.024383  0.505499  1
  P  P55  1  0.348058  0.803408  0.490819  1
  P  P56  1  0.349345  0.261918  0.521956  1
  P  P57  1  0.161145  0.532937  0.506604  1
  P  P58  1  0.167723  0.079655  0.475954  1
  P  P59  1  0.848264  0.753993  0.521396  1
  P  P60  1  0.850051  0.297101  0.489208  1
  P  P61  1  0.668186  0.477584  0.536591  1
  P  P62  1  0.667659  0.939095  0.568553  1
  P  P63  1  0.342329  0.729790  0.553997  1
  P  P64  1  0.347264  0.190939  0.584824  1
  P  P65  1  0.168232  0.459399  0.569835  1
  P  P66  1  0.160621  0.991412  0.538329  1
  P  P67  1  0.846410  0.670279  0.584168  1
  P  P68  1  0.844169  0.208767  0.552128  1
  P  P69  1  0.659879  0.405695  0.600010  1
  P  P70  1  0.669464  0.868113  0.630969  1
  P  P71  1  0.352305  0.650453  0.616600  1
  P  P72  1  0.355869  0.119349  0.646420  1
  P  P73  1  0.165469  0.387915  0.631867  1
  P  P74  1  0.167778  0.921532  0.602000  1
  P  P75  1  0.841393  0.596849  0.645454  1
  P  P76  1  0.852250  0.136960  0.614294  1
  P  P77  1  0.675909  0.325221  0.663093  1
  P  P78  1  0.680396  0.801386  0.695117  1
  P  P79  1  0.338631  0.583914  0.680925  1
  P  P80  1  0.372922  0.038366  0.708409  1
  P  P81  1  0.174068  0.305177  0.695418  1
  P  P82  1  0.176993  0.846668  0.664302  1
  P  P83  1  0.841051  0.526109  0.709691  1
  P  P84  1  0.866524  0.067511  0.677931  1
