# generated using pymatgen
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89276114
_cell_length_b   16.28852617
_cell_length_c   44.04424711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4P
_chemical_formula_sum   'Fe72 P18'
_cell_volume   2792.72862646
_cell_formula_units_Z   18
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  0.718421  0.509759  0.371195  1
  Fe  Fe2  1  0.567360  0.117342  0.404138  1
  Fe  Fe3  1  0.573830  0.953713  0.380998  1
  Fe  Fe4  1  0.060647  0.330921  0.419938  1
  Fe  Fe5  1  0.065795  0.189875  0.375118  1
  Fe  Fe6  1  1.023429  0.751735  0.402238  1
  Fe  Fe7  1  0.596975  0.663236  0.368852  1
  Fe  Fe8  1  0.564980  0.263064  0.389680  1
  Fe  Fe9  1  0.515644  0.840539  0.429942  1
  Fe  Fe10  1  0.106133  0.599441  0.395485  1
  Fe  Fe11  1  0.060371  0.358547  0.365156  1
  Fe  Fe12  1  0.071500  0.028295  0.402938  1
  Fe  Fe13  1  0.557830  0.306129  0.446712  1
  Fe  Fe14  1  0.608101  0.889890  0.480697  1
  Fe  Fe15  1  0.518641  0.689115  0.422919  1
  Fe  Fe16  1  1.032943  0.229779  0.480676  1
  Fe  Fe17  1  0.088427  0.947024  0.457073  1
  Fe  Fe18  1  0.947994  0.633424  0.453448  1
  Fe  Fe19  1  0.846445  0.474213  0.437105  1
  Fe  Fe20  1  0.608446  0.038111  0.484500  1
  Fe  Fe21  1  0.479877  0.717374  0.476679  1
  Fe  Fe22  1  1.014429  0.376507  0.479173  1
  Fe  Fe23  1  0.063693  0.186959  0.427886  1
  Fe  Fe24  1  1.010025  0.786022  0.457484  1
  Fe  Fe25  1  0.477373  0.166024  0.517371  1
  Fe  Fe26  1  1.014835  0.811706  0.564342  1
  Fe  Fe27  1  0.505553  0.568931  0.489972  1
  Fe  Fe28  1  0.060387  0.121326  0.558078  1
  Fe  Fe29  1  0.158062  0.859424  0.510601  1
  Fe  Fe30  1  1.001827  0.496107  0.525661  1
  Fe  Fe31  1  0.527394  0.303471  0.502506  1
  Fe  Fe32  1  0.600921  0.915939  0.538322  1
  Fe  Fe33  1  0.503485  0.565068  0.549074  1
  Fe  Fe34  1  1.021888  0.263548  0.535545  1
  Fe  Fe35  1  0.102004  0.004773  0.510895  1
  Fe  Fe36  1  0.990051  0.644858  0.510120  1
  Fe  Fe37  1  0.571364  0.031293  0.593274  1
  Fe  Fe38  1  0.520892  0.610897  0.608706  1
  Fe  Fe39  1  0.522116  0.380419  0.556688  1
  Fe  Fe40  1  1.033583  0.895987  0.617402  1
  Fe  Fe41  1  1.010639  0.642933  0.567693  1
  Fe  Fe42  1  0.048678  0.276024  0.590485  1
  Fe  Fe43  1  0.553463  0.198258  0.574663  1
  Fe  Fe44  1  0.527235  0.857125  0.591090  1
  Fe  Fe45  1  0.496751  0.465076  0.604418  1
  Fe  Fe46  1  0.066929  0.133374  0.614000  1
  Fe  Fe47  1  0.085872  0.962091  0.565132  1
  Fe  Fe48  1  1.005984  0.504453  0.579493  1
  Fe  Fe49  1  0.498472  0.823116  0.646639  1
  Fe  Fe50  1  0.552201  0.419375  0.656856  1
  Fe  Fe51  1  0.559236  0.219518  0.637049  1
  Fe  Fe52  1  1.015084  0.791058  0.674936  1
  Fe  Fe53  1  1.011619  0.511379  0.634866  1
  Fe  Fe54  1  0.082616  0.126850  0.673479  1
  Fe  Fe55  1  0.584567  0.075844  0.650207  1
  Fe  Fe56  1  0.529684  0.690398  0.661361  1
  Fe  Fe57  1  0.490208  0.317095  0.690925  1
  Fe  Fe58  1  0.066783  -0.025616  0.668699  1
  Fe  Fe59  1  1.012330  0.738572  0.618600  1
  Fe  Fe60  1  0.050944  0.342838  0.644919  1
  Fe  Fe61  1  0.508807  0.638000  0.715826  1
  Fe  Fe62  1  0.587612  0.218019  0.743597  1
  Fe  Fe63  1  0.572677  0.060634  0.707464  1
  Fe  Fe64  1  1.006094  0.553741  0.733802  1
  Fe  Fe65  1  1.004878  0.399635  0.703822  1
  Fe  Fe66  1  0.072320  -0.008176  0.723667  1
  Fe  Fe67  1  0.566265  0.917944  0.691267  1
  Fe  Fe68  1  0.505275  0.488002  0.707435  1
  Fe  Fe69  1  0.572666  0.074802  0.762667  1
  Fe  Fe70  1  1.009549  0.725736  0.729236  1
  Fe  Fe71  1  1.010432  0.604869  0.683508  1
  Fe  Fe72  1  0.080426  0.141912  0.729285  1
  P  P73  1  0.566811  0.395540  0.398452  1
  P  P74  1  0.565590  0.163909  0.348519  1
  P  P75  1  0.514968  0.808278  0.379359  1
  P  P76  1  0.551062  0.163961  0.462998  1
  P  P77  1  0.580651  -0.016851  0.433157  1
  P  P78  1  0.363695  0.548375  0.441559  1
  P  P79  1  0.590630  0.052745  0.542679  1
  P  P80  1  0.713486  0.782923  0.514628  1
  P  P81  1  0.495112  0.440946  0.509258  1
  P  P82  1  0.549020  0.950358  0.634709  1
  P  P83  1  0.494937  0.716767  0.577812  1
  P  P84  1  0.547740  0.329442  0.607901  1
  P  P85  1  0.508140  0.785577  0.704398  1
  P  P86  1  0.502160  0.555574  0.657471  1
  P  P87  1  0.594430  0.186554  0.689410  1
  P  P88  1  0.507412  0.547735  0.760422  1
  P  P89  1  0.497720  0.355148  0.739812  1
  P  P90  1  0.579969  0.940205  0.746685  1
