# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64770348
_cell_length_b   11.35109622
_cell_length_c   45.61241866
_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   'Fe24 P48'
_cell_volume   2924.10385914
_cell_formula_units_Z   24
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  1.002014  0.502470  0.321105  1
  Fe  Fe2  1  1.003347  0.224651  0.360393  1
  Fe  Fe3  1  0.982487  0.711599  0.291674  1
  Fe  Fe4  1  0.526290  0.211599  0.291674  1
  Fe  Fe5  1  0.506763  0.002470  0.321105  1
  Fe  Fe6  1  0.505431  0.724651  0.360393  1
  Fe  Fe7  1  0.006081  0.769201  0.428568  1
  Fe  Fe8  1  0.997826  0.499998  0.470916  1
  Fe  Fe9  1  0.008758  0.996382  0.394451  1
  Fe  Fe10  1  0.500020  0.496382  0.394451  1
  Fe  Fe11  1  0.502696  0.269201  0.428568  1
  Fe  Fe12  1  0.510952  -0.000002  0.470916  1
  Fe  Fe13  1  1.003075  0.007892  0.545867  1
  Fe  Fe14  1  1.003094  0.780351  0.580180  1
  Fe  Fe15  1  0.010871  0.277461  0.503606  1
  Fe  Fe16  1  0.497907  0.777461  0.503606  1
  Fe  Fe17  1  0.505702  0.507892  0.545867  1
  Fe  Fe18  1  0.505683  0.280351  0.580180  1
  Fe  Fe19  1  0.005519  0.285090  0.657148  1
  Fe  Fe20  1  0.006134  0.057651  0.687602  1
  Fe  Fe21  1  0.004521  0.552606  0.614396  1
  Fe  Fe22  1  0.504257  0.052606  0.614396  1
  Fe  Fe23  1  0.503258  0.785090  0.657148  1
  Fe  Fe24  1  0.502643  0.557651  0.687602  1
  P  P25  1  0.773117  0.573307  0.359097  1
  P  P26  1  0.748127  0.055942  0.279694  1
  P  P27  1  0.761503  0.823411  0.321584  1
  P  P28  1  0.231287  0.661540  0.393445  1
  P  P29  1  0.210761  0.150524  0.317533  1
  P  P30  1  0.241993  0.903159  0.355231  1
  P  P31  1  0.747275  0.323411  0.321584  1
  P  P32  1  0.735660  0.073307  0.359097  1
  P  P33  1  0.760651  0.555942  0.279694  1
  P  P34  1  0.266784  0.403159  0.355231  1
  P  P35  1  0.277491  0.161540  0.393445  1
  P  P36  1  0.298016  0.650524  0.317533  1
  P  P37  1  0.778410  0.844406  0.468998  1
  P  P38  1  0.775433  0.333587  0.394715  1
  P  P39  1  0.769879  0.091560  0.433136  1
  P  P40  1  0.230904  0.933234  0.505487  1
  P  P41  1  0.230448  0.421979  0.430541  1
  P  P42  1  0.246414  0.174941  0.467167  1
  P  P43  1  0.738898  0.591560  0.433136  1
  P  P44  1  0.730368  0.344406  0.468998  1
  P  P45  1  0.733344  0.833587  0.394715  1
  P  P46  1  0.262363  0.674941  0.467167  1
  P  P47  1  0.277873  0.433234  0.505487  1
  P  P48  1  0.278330  0.921979  0.430541  1
  P  P49  1  0.777985  0.116209  0.580708  1
  P  P50  1  0.762572  0.602744  0.507288  1
  P  P51  1  0.777187  0.355631  0.543888  1
  P  P52  1  0.234557  0.205900  0.616544  1
  P  P53  1  0.239642  0.686105  0.541546  1
  P  P54  1  0.232741  0.444325  0.579745  1
  P  P55  1  0.731591  0.855631  0.543888  1
  P  P56  1  0.730793  0.616209  0.580708  1
  P  P57  1  0.746206  0.102744  0.507288  1
  P  P58  1  0.276036  0.944325  0.579745  1
  P  P59  1  0.274220  0.705900  0.616544  1
  P  P60  1  0.269136  0.186105  0.541546  1
  P  P61  1  0.773252  0.385170  0.693618  1
  P  P62  1  0.766126  0.873728  0.618981  1
  P  P63  1  0.776647  0.627240  0.654950  1
  P  P64  1  0.277150  0.474407  0.726362  1
  P  P65  1  0.244551  0.959361  0.652621  1
  P  P66  1  0.231523  0.718307  0.691877  1
  P  P67  1  0.732130  0.127240  0.654950  1
  P  P68  1  0.735525  0.885170  0.693618  1
  P  P69  1  0.742652  0.373728  0.618981  1
  P  P70  1  0.277254  0.218307  0.691877  1
  P  P71  1  0.231627  0.974407  0.726362  1
  P  P72  1  0.264226  0.459361  0.652621  1
