# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64807767
_cell_length_b   17.08056738
_cell_length_c   51.79268514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.80317932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe24 P96'
_cell_volume   5865.44135369
_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  0.491495  0.992432  0.326445  1
  Fe  Fe2  1  0.540965  0.519098  0.316768  1
  Fe  Fe3  1  0.996590  0.676628  0.328946  1
  Fe  Fe4  1  0.968950  0.162306  0.346741  1
  Fe  Fe5  1  0.742161  0.835568  0.327496  1
  Fe  Fe6  1  0.207291  0.277887  0.378485  1
  Fe  Fe7  1  0.487242  0.885453  0.433866  1
  Fe  Fe8  1  0.502792  0.407277  0.419987  1
  Fe  Fe9  1  0.979078  0.570872  0.439260  1
  Fe  Fe10  1  0.957250  0.049795  0.452201  1
  Fe  Fe11  1  0.734355  0.727976  0.436266  1
  Fe  Fe12  1  0.242839  0.180772  0.492553  1
  Fe  Fe13  1  0.480433  0.777403  0.542850  1
  Fe  Fe14  1  0.478287  0.294112  0.526799  1
  Fe  Fe15  1  0.967162  0.462579  0.547683  1
  Fe  Fe16  1  0.961473  0.947193  0.562214  1
  Fe  Fe17  1  0.724997  0.620017  0.545493  1
  Fe  Fe18  1  0.192597  0.061273  0.596077  1
  Fe  Fe19  1  0.475437  0.669432  0.652363  1
  Fe  Fe20  1  0.489075  0.191181  0.637484  1
  Fe  Fe21  1  0.970351  0.352958  0.655806  1
  Fe  Fe22  1  0.938325  0.840348  0.671680  1
  Fe  Fe23  1  0.724638  0.510785  0.654115  1
  Fe  Fe24  1  0.153436  0.955588  0.700704  1
  P  P25  1  0.465334  0.113966  0.301509  1
  P  P26  1  0.530743  0.555395  0.357402  1
  P  P27  1  0.031955  0.554467  0.353814  1
  P  P28  1  0.965612  0.114322  0.301825  1
  P  P29  1  0.726359  0.057342  0.353403  1
  P  P30  1  0.268891  0.608365  0.300681  1
  P  P31  1  0.482951  0.373299  0.373868  1
  P  P32  1  0.482419  0.890735  0.355928  1
  P  P33  1  0.965160  0.188683  0.390667  1
  P  P34  1  0.994687  0.778240  0.297670  1
  P  P35  1  0.203506  0.250603  0.333602  1
  P  P36  1  0.740051  0.721948  0.355388  1
  P  P37  1  0.309675  0.424242  0.317144  1
  P  P38  1  0.733858  0.946046  0.297177  1
  P  P39  1  0.976322  0.377607  0.373511  1
  P  P40  1  0.987229  0.891131  0.352503  1
  P  P41  1  0.469186  0.189487  0.388606  1
  P  P42  1  0.495390  0.777999  0.301718  1
  P  P43  1  0.233588  0.945303  0.300972  1
  P  P44  1  0.806039  0.423392  0.316001  1
  P  P45  1  0.246830  0.723978  0.353635  1
  P  P46  1  0.704542  0.248742  0.335674  1
  P  P47  1  0.226601  0.060450  0.354167  1
  P  P48  1  0.768326  0.610547  0.300561  1
  P  P49  1  0.465822  0.006587  0.408972  1
  P  P50  1  0.497046  0.450696  0.464408  1
  P  P51  1  0.000096  0.448718  0.463987  1
  P  P52  1  0.967892  0.005033  0.408296  1
  P  P53  1  0.721564  0.949547  0.461706  1
  P  P54  1  0.243317  0.503910  0.410458  1
  P  P55  1  0.482905  0.269506  0.481210  1
  P  P56  1  0.476319  0.784562  0.464801  1
  P  P57  1  0.972499  0.083124  0.498197  1
  P  P58  1  0.988888  0.670748  0.407316  1
  P  P59  1  0.212362  0.139731  0.444946  1
  P  P60  1  0.724888  0.617280  0.465708  1
  P  P61  1  0.241186  0.318144  0.426527  1
  P  P62  1  0.739106  0.838238  0.406783  1
  P  P63  1  0.978506  0.267827  0.482917  1
  P  P64  1  0.981054  0.785071  0.461831  1
  P  P65  1  0.477495  0.081256  0.497876  1
  P  P66  1  0.485525  0.671230  0.410824  1
  P  P67  1  0.232022  0.836972  0.409265  1
  P  P68  1  0.751578  0.317293  0.427653  1
  P  P69  1  0.231667  0.618732  0.463449  1
  P  P70  1  0.703934  0.138662  0.444360  1
  P  P71  1  0.223513  0.953144  0.462426  1
  P  P72  1  0.748550  0.505257  0.411668  1
  P  P73  1  0.459807  0.898158  0.517716  1
  P  P74  1  0.489457  0.340275  0.572619  1
  P  P75  1  0.989063  0.342046  0.572617  1
  P  P76  1  0.960342  0.899229  0.517292  1
  P  P77  1  0.713511  0.842884  0.570460  1
  P  P78  1  0.231746  0.396177  0.519140  1
  P  P79  1  0.468491  0.157262  0.590946  1
  P  P80  1  0.469929  0.676891  0.574099  1
  P  P81  1  0.944871  0.972597  0.607187  1
  P  P82  1  0.980573  0.563542  0.516975  1
  P  P83  1  0.207805  0.031009  0.551751  1
  P  P84  1  0.716245  0.508695  0.574664  1
  P  P85  1  0.231534  0.210127  0.537263  1
  P  P86  1  0.734546  0.731340  0.516249  1
  P  P87  1  0.959404  0.160464  0.590757  1
  P  P88  1  0.973474  0.676685  0.571253  1
  P  P89  1  0.455337  0.972879  0.606114  1
  P  P90  1  0.476529  0.563372  0.519832  1
  P  P91  1  0.225936  0.729851  0.518404  1
  P  P92  1  0.738339  0.209085  0.535567  1
  P  P93  1  0.225426  0.510052  0.572385  1
  P  P94  1  0.699797  0.031591  0.553135  1
  P  P95  1  0.213255  0.844211  0.571383  1
  P  P96  1  0.733086  0.396834  0.519894  1
  P  P97  1  0.447838  0.791164  0.627362  1
  P  P98  1  0.499531  0.232933  0.681160  1
  P  P99  1  0.000961  0.230842  0.681178  1
  P  P100  1  0.945599  0.790589  0.627057  1
  P  P101  1  0.706197  0.735719  0.680589  1
  P  P102  1  0.230939  0.288045  0.627113  1
  P  P103  1  0.389684  0.057603  0.700054  1
  P  P104  1  0.475289  0.568315  0.683853  1
  P  P105  1  0.927155  0.865625  0.718213  1
  P  P106  1  0.980339  0.455987  0.625664  1
  P  P107  1  0.175016  0.925974  0.659358  1
  P  P108  1  0.733983  0.400971  0.684900  1
  P  P109  1  0.221799  0.103432  0.643081  1
  P  P110  1  0.728475  0.623563  0.625573  1
  P  P111  1  0.897833  0.052200  0.701972  1
  P  P112  1  0.975283  0.568404  0.679482  1
  P  P113  1  0.421313  0.870906  0.715358  1
  P  P114  1  0.477046  0.455129  0.629036  1
  P  P115  1  0.223186  0.621878  0.627637  1
  P  P116  1  0.732748  0.099424  0.644930  1
  P  P117  1  0.233683  0.400801  0.680402  1
  P  P118  1  0.666362  0.924721  0.663510  1
  P  P119  1  0.206066  0.738049  0.680424  1
  P  P120  1  0.733794  0.289704  0.628706  1
