# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17376153
_cell_length_b   8.69176226
_cell_length_c   46.55114632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.39476777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe60 P30'
_cell_volume   2338.17294943
_cell_formula_units_Z   30
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  0.036969  0.329106  0.292977  1
  Fe  Fe2  1  0.619515  0.855752  0.287303  1
  Fe  Fe3  1  0.327462  0.713158  0.315045  1
  Fe  Fe4  1  0.633899  0.418957  0.324460  1
  Fe  Fe5  1  0.218881  0.013362  0.303401  1
  Fe  Fe6  1  0.025307  0.653381  0.283923  1
  Fe  Fe7  1  0.848126  0.612058  0.331356  1
  Fe  Fe8  1  0.473173  0.150924  0.325672  1
  Fe  Fe9  1  0.154173  0.988821  0.358067  1
  Fe  Fe10  1  0.490129  0.692147  0.367206  1
  Fe  Fe11  1  0.078036  0.292835  0.345746  1
  Fe  Fe12  1  0.899609  0.891832  0.324816  1
  Fe  Fe13  1  0.747199  0.894281  0.378055  1
  Fe  Fe14  1  0.366106  0.424636  0.369987  1
  Fe  Fe15  1  0.052746  0.277157  0.401014  1
  Fe  Fe16  1  0.348824  0.982252  0.410585  1
  Fe  Fe17  1  0.948779  0.580953  0.390089  1
  Fe  Fe18  1  0.753823  0.181478  0.367690  1
  Fe  Fe19  1  0.557781  0.186027  0.419706  1
  Fe  Fe20  1  0.211421  0.739051  0.409100  1
  Fe  Fe21  1  0.874196  0.550595  0.447022  1
  Fe  Fe22  1  0.207138  0.267598  0.453837  1
  Fe  Fe23  1  0.805922  0.868050  0.433372  1
  Fe  Fe24  1  0.606541  0.470382  0.413131  1
  Fe  Fe25  1  0.463102  0.459612  0.465550  1
  Fe  Fe26  1  0.081163  0.998725  0.457396  1
  Fe  Fe27  1  0.768639  0.848129  0.488010  1
  Fe  Fe28  1  0.065158  0.553157  0.497223  1
  Fe  Fe29  1  0.663523  0.153808  0.476796  1
  Fe  Fe30  1  0.464803  0.754239  0.456227  1
  Fe  Fe31  1  0.270882  0.757180  0.506596  1
  Fe  Fe32  1  0.926542  0.308758  0.495991  1
  Fe  Fe33  1  0.589615  0.121409  0.533972  1
  Fe  Fe34  1  0.922979  0.838579  0.540828  1
  Fe  Fe35  1  0.520437  0.439248  0.520330  1
  Fe  Fe36  1  0.321785  0.039899  0.499870  1
  Fe  Fe37  1  0.178444  0.030018  0.552564  1
  Fe  Fe38  1  0.796517  0.569943  0.544693  1
  Fe  Fe39  1  0.483087  0.420057  0.574881  1
  Fe  Fe40  1  0.780091  0.123234  0.583708  1
  Fe  Fe41  1  0.377789  0.725053  0.563845  1
  Fe  Fe42  1  0.179485  0.325323  0.543375  1
  Fe  Fe43  1  0.984204  0.329601  0.593639  1
  Fe  Fe44  1  0.642205  0.879586  0.582882  1
  Fe  Fe45  1  0.302767  0.691034  0.621639  1
  Fe  Fe46  1  0.639186  0.412280  0.628679  1
  Fe  Fe47  1  0.235677  0.010106  0.607446  1
  Fe  Fe48  1  0.035332  0.611217  0.587177  1
  Fe  Fe49  1  0.884763  0.599595  0.640443  1
  Fe  Fe50  1  0.510207  0.140128  0.631656  1
  Fe  Fe51  1  0.199883  0.992339  0.663201  1
  Fe  Fe52  1  0.496974  0.702602  0.672724  1
  Fe  Fe53  1  0.082864  0.297235  0.650620  1
  Fe  Fe54  1  0.897808  0.894915  0.630906  1
  Fe  Fe55  1  0.709419  0.894417  0.678994  1
  Fe  Fe56  1  0.338795  0.440031  0.668769  1
  Fe  Fe57  1  0.061533  0.273363  0.703436  1
  Fe  Fe58  1  0.354184  0.978378  0.713297  1
  Fe  Fe59  1  0.952678  0.575970  0.693187  1
  Fe  Fe60  1  0.770796  0.170990  0.672287  1
  P  P61  1  0.680490  0.564571  0.284486  1
  P  P62  1  0.264818  0.437067  0.316245  1
  P  P63  1  0.857238  0.154764  0.317276  1
  P  P64  1  0.536864  0.865024  0.334777  1
  P  P65  1  0.111326  0.716549  0.361015  1
  P  P66  1  0.754794  0.437860  0.368366  1
  P  P67  1  0.398386  0.149696  0.375398  1
  P  P68  1  0.965783  0.016657  0.404606  1
  P  P69  1  0.611259  0.727382  0.411162  1
  P  P70  1  0.253090  0.443736  0.419558  1
  P  P71  1  0.828096  0.291457  0.446847  1
  P  P72  1  0.469287  0.011146  0.455093  1
  P  P73  1  0.114370  0.720079  0.461540  1
  P  P74  1  0.680769  0.587235  0.492101  1
  P  P75  1  0.326357  0.296690  0.498542  1
  P  P76  1  0.966912  0.015725  0.506529  1
  P  P77  1  0.543180  0.862572  0.533985  1
  P  P78  1  0.183548  0.582130  0.542130  1
  P  P79  1  0.829518  0.291713  0.548579  1
  P  P80  1  0.395875  0.158680  0.579107  1
  P  P81  1  0.041907  0.866537  0.585851  1
  P  P82  1  0.679376  0.587502  0.593903  1
  P  P83  1  0.258090  0.434073  0.620768  1
  P  P84  1  0.897498  0.155579  0.627962  1
  P  P85  1  0.540922  0.866101  0.635261  1
  P  P86  1  0.115750  0.728969  0.667316  1
  P  P87  1  0.724140  0.438887  0.676875  1
  P  P88  1  0.411571  0.167000  0.682425  1
  P  P89  1  0.955521  0.023441  0.710675  1
  P  P90  1  0.651885  0.746664  0.720569  1
