# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68056681
_cell_length_b   15.13845660
_cell_length_c   54.92670336
_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   'Fe32 P128'
_cell_volume   8049.44469402
_cell_formula_units_Z   32
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  0.118878  0.596037  0.291776  1
  Fe  Fe2  1  0.119370  0.994604  0.345328  1
  Fe  Fe3  1  0.382435  0.693688  0.373520  1
  Fe  Fe4  1  0.381325  0.292396  0.318932  1
  Fe  Fe5  1  0.619370  0.494604  0.345328  1
  Fe  Fe6  1  0.618878  0.096037  0.291776  1
  Fe  Fe7  1  0.881325  0.792396  0.318932  1
  Fe  Fe8  1  0.882435  0.193688  0.373520  1
  Fe  Fe9  1  0.123830  0.392982  0.401498  1
  Fe  Fe10  1  0.123552  0.792413  0.457162  1
  Fe  Fe11  1  0.380783  0.492168  0.484992  1
  Fe  Fe12  1  0.380556  0.092547  0.429296  1
  Fe  Fe13  1  0.623552  0.292413  0.457162  1
  Fe  Fe14  1  0.623830  0.892982  0.401498  1
  Fe  Fe15  1  0.880556  0.592547  0.429296  1
  Fe  Fe16  1  0.880783  0.992168  0.484992  1
  Fe  Fe17  1  0.123637  0.191912  0.512806  1
  Fe  Fe18  1  0.123864  0.591533  0.568501  1
  Fe  Fe19  1  0.380590  0.291098  0.596299  1
  Fe  Fe20  1  0.380867  0.891667  0.540635  1
  Fe  Fe21  1  0.623864  0.091533  0.568501  1
  Fe  Fe22  1  0.623637  0.691912  0.512806  1
  Fe  Fe23  1  0.880867  0.391667  0.540635  1
  Fe  Fe24  1  0.880590  0.791098  0.596299  1
  Fe  Fe25  1  0.121985  0.990392  0.624277  1
  Fe  Fe26  1  0.123094  0.391684  0.678865  1
  Fe  Fe27  1  0.385542  0.088043  0.706021  1
  Fe  Fe28  1  0.385050  0.689476  0.652469  1
  Fe  Fe29  1  0.623094  0.891684  0.678865  1
  Fe  Fe30  1  0.621985  0.490392  0.624277  1
  Fe  Fe31  1  0.885050  0.189476  0.652469  1
  Fe  Fe32  1  0.885542  0.588043  0.706021  1
  P  P33  1  0.752381  0.597900  0.360404  1
  P  P34  1  0.757257  0.198770  0.304538  1
  P  P35  1  0.989862  0.444447  0.373065  1
  P  P36  1  0.991400  0.044226  0.315586  1
  P  P37  1  0.249105  0.398784  0.332298  1
  P  P38  1  0.262356  0.985888  0.279767  1
  P  P39  1  0.008700  0.843054  0.289196  1
  P  P40  1  0.014287  0.245179  0.344646  1
  P  P41  1  0.251802  0.588489  0.359081  1
  P  P42  1  0.250706  0.188657  0.302778  1
  P  P43  1  0.754775  0.788117  0.386902  1
  P  P44  1  0.752232  0.387519  0.332229  1
  P  P45  1  0.015236  0.741752  0.347254  1
  P  P46  1  0.013512  0.349268  0.292231  1
  P  P47  1  0.989359  0.543737  0.320225  1
  P  P48  1  0.990035  0.942020  0.374331  1
  P  P49  1  0.257257  0.698770  0.304538  1
  P  P50  1  0.252381  0.097900  0.360404  1
  P  P51  1  0.491400  0.544226  0.315586  1
  P  P52  1  0.489862  0.944447  0.373065  1
  P  P53  1  0.762356  0.485888  0.279767  1
  P  P54  1  0.749105  0.898784  0.332298  1
  P  P55  1  0.514287  0.745179  0.344646  1
  P  P56  1  0.508700  0.343054  0.289196  1
  P  P57  1  0.750706  0.688657  0.302778  1
  P  P58  1  0.751802  0.088489  0.359081  1
  P  P59  1  0.252232  0.887519  0.332229  1
  P  P60  1  0.254775  0.288117  0.386902  1
  P  P61  1  0.513512  0.849268  0.292231  1
  P  P62  1  0.515236  0.241752  0.347254  1
  P  P63  1  0.490035  0.442020  0.374331  1
  P  P64  1  0.489359  0.043737  0.320225  1
  P  P65  1  0.755111  0.397153  0.471751  1
  P  P66  1  0.755436  0.997699  0.416115  1
  P  P67  1  0.990159  0.243600  0.484286  1
  P  P68  1  0.990130  0.843895  0.428594  1
  P  P69  1  0.249330  0.197354  0.443951  1
  P  P70  1  0.250044  0.797464  0.388570  1
  P  P71  1  0.014374  0.643821  0.400773  1
  P  P72  1  0.014294  0.043784  0.456468  1
  P  P73  1  0.249348  0.387431  0.470376  1
  P  P74  1  0.248816  0.987975  0.414632  1
  P  P75  1  0.755185  0.587188  0.498197  1
  P  P76  1  0.755121  0.187605  0.442597  1
  P  P77  1  0.014152  0.541019  0.457837  1
  P  P78  1  0.013992  0.141783  0.402284  1
  P  P79  1  0.990504  0.341461  0.430096  1
  P  P80  1  0.990185  0.740712  0.485699  1
  P  P81  1  0.255436  0.497699  0.416115  1
  P  P82  1  0.255111  0.897153  0.471751  1
  P  P83  1  0.490130  0.343895  0.428594  1
  P  P84  1  0.490159  0.743600  0.484286  1
  P  P85  1  0.750044  0.297464  0.388570  1
  P  P86  1  0.749330  0.697354  0.443951  1
  P  P87  1  0.514294  0.543784  0.456468  1
  P  P88  1  0.514374  0.143821  0.400773  1
  P  P89  1  0.748816  0.487975  0.414632  1
  P  P90  1  0.749348  0.887431  0.470376  1
  P  P91  1  0.255121  0.687605  0.442597  1
  P  P92  1  0.255185  0.087188  0.498197  1
  P  P93  1  0.513992  0.641783  0.402284  1
  P  P94  1  0.514152  0.041019  0.457837  1
  P  P95  1  0.490185  0.240712  0.485699  1
  P  P96  1  0.490504  0.841461  0.430096  1
  P  P97  1  0.755604  0.196105  0.583165  1
  P  P98  1  0.755071  0.796649  0.527421  1
  P  P99  1  0.990428  0.042297  0.595513  1
  P  P100  1  0.990268  0.643061  0.539960  1
  P  P101  1  0.249299  0.996475  0.555200  1
  P  P102  1  0.249235  0.596892  0.499600  1
  P  P103  1  0.014234  0.443368  0.512098  1
  P  P104  1  0.013915  0.842619  0.567701  1
  P  P105  1  0.248984  0.186381  0.581682  1
  P  P106  1  0.249308  0.786927  0.526046  1
  P  P107  1  0.754376  0.386616  0.609227  1
  P  P108  1  0.755090  0.986726  0.553846  1
  P  P109  1  0.014290  0.340185  0.569203  1
  P  P110  1  0.014260  0.940480  0.513511  1
  P  P111  1  0.990126  0.140296  0.541329  1
  P  P112  1  0.990046  0.540259  0.597024  1
  P  P113  1  0.255071  0.296649  0.527421  1
  P  P114  1  0.255604  0.696105  0.583165  1
  P  P115  1  0.490268  0.143061  0.539960  1
  P  P116  1  0.490428  0.542297  0.595513  1
  P  P117  1  0.749235  0.096892  0.499600  1
  P  P118  1  0.749299  0.496475  0.555200  1
  P  P119  1  0.513915  0.342619  0.567701  1
  P  P120  1  0.514234  0.943368  0.512098  1
  P  P121  1  0.749308  0.286927  0.526046  1
  P  P122  1  0.748984  0.686381  0.581682  1
  P  P123  1  0.255090  0.486726  0.553846  1
  P  P124  1  0.254376  0.886616  0.609227  1
  P  P125  1  0.514260  0.440480  0.513511  1
  P  P126  1  0.514290  0.840185  0.569203  1
  P  P127  1  0.490046  0.040259  0.597024  1
  P  P128  1  0.490126  0.640296  0.541329  1
  P  P129  1  0.753713  0.995423  0.695019  1
  P  P130  1  0.752618  0.595591  0.638716  1
  P  P131  1  0.990908  0.834812  0.705566  1
  P  P132  1  0.989184  0.442328  0.650544  1
  P  P133  1  0.252188  0.796561  0.665568  1
  P  P134  1  0.249644  0.395963  0.610895  1
  P  P135  1  0.014385  0.242060  0.623466  1
  P  P136  1  0.015061  0.640343  0.677572  1
  P  P137  1  0.247163  0.985310  0.693259  1
  P  P138  1  0.252039  0.586180  0.637393  1
  P  P139  1  0.742064  0.198192  0.718030  1
  P  P140  1  0.755315  0.785296  0.665499  1
  P  P141  1  0.013020  0.139854  0.682211  1
  P  P142  1  0.014558  0.739633  0.624732  1
  P  P143  1  0.990133  0.938901  0.653151  1
  P  P144  1  0.995720  0.341026  0.708601  1
  P  P145  1  0.252618  0.095591  0.638716  1
  P  P146  1  0.253713  0.495423  0.695019  1
  P  P147  1  0.489184  0.942328  0.650544  1
  P  P148  1  0.490908  0.334812  0.705566  1
  P  P149  1  0.749644  0.895963  0.610895  1
  P  P150  1  0.752188  0.296561  0.665568  1
  P  P151  1  0.515061  0.140343  0.677572  1
  P  P152  1  0.514385  0.742060  0.623466  1
  P  P153  1  0.752039  0.086180  0.637393  1
  P  P154  1  0.747163  0.485310  0.693259  1
  P  P155  1  0.255315  0.285296  0.665499  1
  P  P156  1  0.242064  0.698192  0.718030  1
  P  P157  1  0.514558  0.239633  0.624732  1
  P  P158  1  0.513020  0.639854  0.682211  1
  P  P159  1  0.495720  0.841026  0.708601  1
  P  P160  1  0.490133  0.438901  0.653151  1
