# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64817084
_cell_length_b   9.58481987
_cell_length_c   53.09022885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe20 P80'
_cell_volume   4909.5709174
_cell_formula_units_Z   20
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  0.125651  0.614111  0.293430  1
  Fe  Fe2  1  0.382141  0.114111  0.293430  1
  Fe  Fe3  1  0.624101  0.367079  0.338750  1
  Fe  Fe4  1  0.883692  0.867079  0.338750  1
  Fe  Fe5  1  0.124925  0.113228  0.383776  1
  Fe  Fe6  1  0.382867  0.613228  0.383776  1
  Fe  Fe7  1  0.625305  0.861711  0.429424  1
  Fe  Fe8  1  0.882488  0.361711  0.429424  1
  Fe  Fe9  1  0.125532  0.610107  0.475026  1
  Fe  Fe10  1  0.382260  0.110107  0.475026  1
  Fe  Fe11  1  0.625532  0.358630  0.520598  1
  Fe  Fe12  1  0.882260  0.858630  0.520598  1
  Fe  Fe13  1  0.125305  0.107026  0.566200  1
  Fe  Fe14  1  0.382488  0.607026  0.566200  1
  Fe  Fe15  1  0.624925  0.855509  0.611847  1
  Fe  Fe16  1  0.882867  0.355509  0.611847  1
  Fe  Fe17  1  0.124101  0.601659  0.656874  1
  Fe  Fe18  1  0.383692  0.101659  0.656874  1
  Fe  Fe19  1  0.625651  0.354626  0.702194  1
  Fe  Fe20  1  0.882141  0.854626  0.702194  1
  P  P21  1  0.753354  0.986948  0.272997  1
  P  P22  1  0.991468  0.241119  0.360200  1
  P  P23  1  0.248730  0.244922  0.316252  1
  P  P24  1  0.015286  0.990725  0.313768  1
  P  P25  1  0.252098  0.482261  0.359882  1
  P  P26  1  0.751309  0.231868  0.314634  1
  P  P27  1  1.001132  0.246206  0.273045  1
  P  P28  1  0.992804  0.487899  0.317031  1
  P  P29  1  0.259063  0.744922  0.316252  1
  P  P30  1  0.492506  0.490725  0.313768  1
  P  P31  1  0.754438  0.486948  0.272997  1
  P  P32  1  0.516325  0.741119  0.360200  1
  P  P33  1  0.756483  0.731868  0.314634  1
  P  P34  1  0.255694  0.982261  0.359882  1
  P  P35  1  0.514988  0.987899  0.317031  1
  P  P36  1  0.506660  0.746206  0.273045  1
  P  P37  1  0.757430  0.495108  0.362483  1
  P  P38  1  0.991957  0.739211  0.451664  1
  P  P39  1  0.251327  0.743009  0.407805  1
  P  P40  1  0.016318  0.490441  0.406019  1
  P  P41  1  0.250925  0.979811  0.451102  1
  P  P42  1  0.756878  0.731464  0.405544  1
  P  P43  1  0.017050  0.736085  0.361803  1
  P  P44  1  0.992243  0.984198  0.407349  1
  P  P45  1  0.256466  0.243009  0.407805  1
  P  P46  1  0.491475  0.990441  0.406019  1
  P  P47  1  0.750362  0.995108  0.362483  1
  P  P48  1  0.515835  0.239211  0.451664  1
  P  P49  1  0.750914  0.231464  0.405544  1
  P  P50  1  0.256868  0.479811  0.451102  1
  P  P51  1  0.515549  0.484198  0.407349  1
  P  P52  1  0.490742  0.236085  0.361803  1
  P  P53  1  0.756770  0.991814  0.453368  1
  P  P54  1  0.991975  0.236254  0.542802  1
  P  P55  1  0.250937  0.240340  0.498967  1
  P  P56  1  0.015846  0.987802  0.497246  1
  P  P57  1  0.251022  0.476923  0.542255  1
  P  P58  1  0.756855  0.228397  0.496657  1
  P  P59  1  0.015818  0.232483  0.452822  1
  P  P60  1  0.991946  0.480935  0.498378  1
  P  P61  1  0.256855  0.740340  0.498967  1
  P  P62  1  0.491946  0.487802  0.497246  1
  P  P63  1  0.751022  0.491814  0.453368  1
  P  P64  1  0.515818  0.736254  0.542802  1
  P  P65  1  0.750937  0.728397  0.496657  1
  P  P66  1  0.256770  0.976923  0.542255  1
  P  P67  1  0.515846  0.980935  0.498378  1
  P  P68  1  0.491975  0.732483  0.452822  1
  P  P69  1  0.756868  0.488926  0.544522  1
  P  P70  1  0.990742  0.732652  0.633821  1
  P  P71  1  0.250914  0.737273  0.590080  1
  P  P72  1  0.015549  0.484539  0.588275  1
  P  P73  1  0.250362  0.973629  0.633141  1
  P  P74  1  0.756466  0.725729  0.587819  1
  P  P75  1  0.015835  0.729526  0.543960  1
  P  P76  1  0.991475  0.978296  0.589605  1
  P  P77  1  0.256878  0.237273  0.590080  1
  P  P78  1  0.492243  0.984539  0.588275  1
  P  P79  1  0.750925  0.988926  0.544522  1
  P  P80  1  0.517050  0.232652  0.633821  1
  P  P81  1  0.751327  0.225729  0.587819  1
  P  P82  1  0.257430  0.473629  0.633141  1
  P  P83  1  0.516318  0.478296  0.589605  1
  P  P84  1  0.491957  0.229526  0.543960  1
  P  P85  1  0.755694  0.986476  0.635742  1
  P  P86  1  0.006660  0.222531  0.722579  1
  P  P87  1  0.256483  0.236869  0.680990  1
  P  P88  1  0.014988  0.980838  0.678593  1
  P  P89  1  0.254438  0.481789  0.722627  1
  P  P90  1  0.759063  0.223815  0.679372  1
  P  P91  1  0.016325  0.227618  0.635424  1
  P  P92  1  0.992506  0.478012  0.681856  1
  P  P93  1  0.251309  0.736869  0.680990  1
  P  P94  1  0.492804  0.480838  0.678593  1
  P  P95  1  0.752098  0.486476  0.635742  1
  P  P96  1  0.501132  0.722531  0.722579  1
  P  P97  1  0.748730  0.723815  0.679372  1
  P  P98  1  0.253354  0.981789  0.722627  1
  P  P99  1  0.515286  0.978012  0.681856  1
  P  P100  1  0.491468  0.727618  0.635424  1
