# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87360579
_cell_length_b   6.88013047
_cell_length_c   48.28118577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.54262615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe60 P30'
_cell_volume   2237.78078068
_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  0.247902  0.415501  0.301528  1
  Fe  Fe2  1  0.627979  0.795559  0.301416  1
  Fe  Fe3  1  0.968602  0.034924  0.291691  1
  Fe  Fe4  1  0.289037  0.750092  0.282495  1
  Fe  Fe5  1  0.606487  0.169388  0.292031  1
  Fe  Fe6  1  0.868457  0.417404  0.291247  1
  Fe  Fe7  1  0.487391  0.132599  0.341945  1
  Fe  Fe8  1  0.909659  0.541546  0.341098  1
  Fe  Fe9  1  0.237556  0.798748  0.333221  1
  Fe  Fe10  1  0.530459  0.509758  0.325749  1
  Fe  Fe11  1  0.849792  0.918518  0.336320  1
  Fe  Fe12  1  0.114876  0.180976  0.335322  1
  Fe  Fe13  1  0.737751  0.909304  0.390613  1
  Fe  Fe14  1  0.154430  0.290804  0.387257  1
  Fe  Fe15  1  0.475781  0.549189  0.382317  1
  Fe  Fe16  1  0.784577  0.256604  0.373466  1
  Fe  Fe17  1  0.095406  0.675007  0.381421  1
  Fe  Fe18  1  0.361762  0.937348  0.380978  1
  Fe  Fe19  1  0.986678  0.665776  0.435744  1
  Fe  Fe20  1  0.400720  0.044368  0.432397  1
  Fe  Fe21  1  0.721575  0.291959  0.426149  1
  Fe  Fe22  1  0.031774  0.011166  0.417793  1
  Fe  Fe23  1  0.344096  0.426650  0.427284  1
  Fe  Fe24  1  0.611297  0.687034  0.426717  1
  Fe  Fe25  1  0.235380  0.418907  0.481235  1
  Fe  Fe26  1  0.647565  0.796364  0.478153  1
  Fe  Fe27  1  0.970147  0.044145  0.471386  1
  Fe  Fe28  1  0.279702  0.763058  0.463218  1
  Fe  Fe29  1  0.591069  0.179400  0.472631  1
  Fe  Fe30  1  0.859755  0.439258  0.471878  1
  Fe  Fe31  1  0.484673  0.170735  0.526631  1
  Fe  Fe32  1  0.895900  0.548604  0.523240  1
  Fe  Fe33  1  0.218856  0.794692  0.516710  1
  Fe  Fe34  1  0.527071  0.514273  0.508517  1
  Fe  Fe35  1  0.839076  0.931774  0.518046  1
  Fe  Fe36  1  0.108399  0.191713  0.517316  1
  Fe  Fe37  1  0.733139  0.922266  0.571799  1
  Fe  Fe38  1  0.132484  0.306856  0.570474  1
  Fe  Fe39  1  0.463304  0.547513  0.562095  1
  Fe  Fe40  1  0.775545  0.264007  0.553908  1
  Fe  Fe41  1  0.088514  0.683470  0.563143  1
  Fe  Fe42  1  0.356562  0.943141  0.562761  1
  Fe  Fe43  1  0.988230  0.635591  0.612782  1
  Fe  Fe44  1  0.400551  0.047940  0.613246  1
  Fe  Fe45  1  0.730396  0.303669  0.607005  1
  Fe  Fe46  1  0.022687  0.014913  0.598890  1
  Fe  Fe47  1  0.339970  0.433338  0.608358  1
  Fe  Fe48  1  0.604750  0.694281  0.607897  1
  Fe  Fe49  1  0.223931  0.418910  0.663801  1
  Fe  Fe50  1  0.616531  0.812054  0.663845  1
  Fe  Fe51  1  0.963658  0.073490  0.655060  1
  Fe  Fe52  1  0.275022  0.761167  0.644718  1
  Fe  Fe53  1  0.596645  0.187310  0.655764  1
  Fe  Fe54  1  0.849671  0.439664  0.655569  1
  Fe  Fe55  1  0.462701  0.136609  0.702803  1
  Fe  Fe56  1  0.899444  0.573448  0.702767  1
  Fe  Fe57  1  0.221209  0.815032  0.696082  1
  Fe  Fe58  1  0.511045  0.524993  0.688669  1
  Fe  Fe59  1  0.843231  0.940216  0.698572  1
  Fe  Fe60  1  0.096049  0.193298  0.698508  1
  P  P61  1  0.983879  0.702597  0.298423  1
  P  P62  1  0.321889  0.054050  0.298661  1
  P  P63  1  0.540421  0.500300  0.274665  1
  P  P64  1  0.250630  0.458013  0.348321  1
  P  P65  1  0.581696  0.784751  0.348880  1
  P  P66  1  0.781987  0.253413  0.327655  1
  P  P67  1  0.497732  0.206380  0.392627  1
  P  P68  1  0.832984  0.539320  0.393458  1
  P  P69  1  0.037361  0.997355  0.371037  1
  P  P70  1  0.743988  0.958731  0.439005  1
  P  P71  1  0.079625  0.293067  0.439042  1
  P  P72  1  0.284719  0.751242  0.416564  1
  P  P73  1  0.992621  0.711052  0.484359  1
  P  P74  1  0.326707  0.044842  0.484368  1
  P  P75  1  0.534290  0.502879  0.461972  1
  P  P76  1  0.239590  0.460806  0.529975  1
  P  P77  1  0.574167  0.796675  0.529692  1
  P  P78  1  0.783126  0.255042  0.507225  1
  P  P79  1  0.488836  0.214552  0.575479  1
  P  P80  1  0.818388  0.548145  0.574357  1
  P  P81  1  0.033227  0.006622  0.552348  1
  P  P82  1  0.742710  0.959409  0.620993  1
  P  P83  1  0.076108  0.293689  0.620561  1
  P  P84  1  0.278894  0.759583  0.598413  1
  P  P85  1  0.987073  0.712099  0.663650  1
  P  P86  1  0.324049  0.049195  0.663639  1
  P  P87  1  0.533136  0.503684  0.642999  1
  P  P88  1  0.247622  0.460664  0.715340  1
  P  P89  1  0.575542  0.788381  0.715340  1
  P  P90  1  0.764839  0.271374  0.698782  1
