# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75602354
_cell_length_b   23.23802955
_cell_length_c   54.73344695
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.78525812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe32 P128'
_cell_volume   8592.16214218
_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  0.481112  0.501028  0.496848  1
  Fe  Fe2  1  0.484593  0.171226  0.396712  1
  Fe  Fe3  1  0.980434  0.252823  0.495866  1
  Fe  Fe4  1  0.976737  0.920540  0.392409  1
  Fe  Fe5  1  0.738966  0.879271  0.346462  1
  Fe  Fe6  1  0.710664  0.206016  0.442237  1
  Fe  Fe7  1  0.207787  0.366502  0.495337  1
  Fe  Fe8  1  0.211144  0.035588  0.394639  1
  Fe  Fe9  1  0.984593  0.671226  0.396712  1
  Fe  Fe10  1  0.981112  0.001028  0.496848  1
  Fe  Fe11  1  0.476737  0.420540  0.392409  1
  Fe  Fe12  1  0.480434  0.752823  0.495866  1
  Fe  Fe13  1  0.210664  0.706016  0.442237  1
  Fe  Fe14  1  0.238966  0.379271  0.346462  1
  Fe  Fe15  1  0.711144  0.535588  0.394639  1
  Fe  Fe16  1  0.707787  0.866502  0.495337  1
  Fe  Fe17  1  0.458443  0.159265  0.689548  1
  Fe  Fe18  1  0.473987  0.831259  0.598074  1
  Fe  Fe19  1  0.958347  0.914055  0.686514  1
  Fe  Fe20  1  0.981293  0.583443  0.596297  1
  Fe  Fe21  1  0.706217  0.537058  0.542781  1
  Fe  Fe22  1  0.714944  0.869396  0.644840  1
  Fe  Fe23  1  0.179483  0.020867  0.689591  1
  Fe  Fe24  1  0.205552  0.699046  0.596753  1
  Fe  Fe25  1  0.973987  0.331259  0.598074  1
  Fe  Fe26  1  0.958443  0.659265  0.689548  1
  Fe  Fe27  1  0.481293  0.083443  0.596297  1
  Fe  Fe28  1  0.458347  0.414055  0.686514  1
  Fe  Fe29  1  0.214944  0.369396  0.644840  1
  Fe  Fe30  1  0.206217  0.037058  0.542781  1
  Fe  Fe31  1  0.705552  0.199046  0.596753  1
  Fe  Fe32  1  0.679483  0.520867  0.689591  1
  P  P33  1  0.978479  0.919780  0.319479  1
  P  P34  1  0.969396  0.248812  0.419771  1
  P  P35  1  0.477360  0.668823  0.320311  1
  P  P36  1  0.465986  0.999402  0.419257  1
  P  P37  1  0.983543  0.832216  0.369253  1
  P  P38  1  0.966901  0.165003  0.469964  1
  P  P39  1  0.981674  0.669814  0.321360  1
  P  P40  1  0.971065  0.999449  0.421299  1
  P  P41  1  0.485234  0.836095  0.369780  1
  P  P42  1  0.474643  0.166794  0.469703  1
  P  P43  1  0.727459  0.546390  0.320830  1
  P  P44  1  0.724335  0.877114  0.418979  1
  P  P45  1  0.729927  0.709371  0.369620  1
  P  P46  1  0.721704  0.039351  0.470819  1
  P  P47  1  0.467695  0.414693  0.469878  1
  P  P48  1  0.471919  0.085761  0.369771  1
  P  P49  1  0.233112  0.795196  0.321016  1
  P  P50  1  0.223439  0.126064  0.420277  1
  P  P51  1  0.231622  0.708937  0.370126  1
  P  P52  1  0.223260  0.040048  0.470358  1
  P  P53  1  0.974694  0.414433  0.470570  1
  P  P54  1  0.980207  0.084727  0.370076  1
  P  P55  1  0.228142  0.544703  0.320360  1
  P  P56  1  0.222438  0.876186  0.419124  1
  P  P57  1  0.722653  0.291697  0.470129  1
  P  P58  1  0.724963  0.964223  0.369735  1
  P  P59  1  0.488532  0.918822  0.318647  1
  P  P60  1  0.470567  0.254566  0.419283  1
  P  P61  1  0.730282  0.794502  0.319478  1
  P  P62  1  0.724028  0.120535  0.419471  1
  P  P63  1  0.222428  0.287826  0.468482  1
  P  P64  1  0.231906  0.957352  0.367571  1
  P  P65  1  0.469396  0.748812  0.419771  1
  P  P66  1  0.478479  0.419780  0.319479  1
  P  P67  1  0.965986  0.499402  0.419257  1
  P  P68  1  0.977360  0.168823  0.320311  1
  P  P69  1  0.466901  0.665003  0.469964  1
  P  P70  1  0.483543  0.332216  0.369253  1
  P  P71  1  0.471065  0.499449  0.421299  1
  P  P72  1  0.481674  0.169814  0.321360  1
  P  P73  1  0.974643  0.666794  0.469703  1
  P  P74  1  0.985234  0.336095  0.369780  1
  P  P75  1  0.224335  0.377114  0.418979  1
  P  P76  1  0.227459  0.046390  0.320830  1
  P  P77  1  0.221704  0.539351  0.470819  1
  P  P78  1  0.229927  0.209371  0.369620  1
  P  P79  1  0.971919  0.585761  0.369771  1
  P  P80  1  0.967695  0.914693  0.469878  1
  P  P81  1  0.723439  0.626064  0.420277  1
  P  P82  1  0.733112  0.295196  0.321016  1
  P  P83  1  0.723260  0.540048  0.470358  1
  P  P84  1  0.731622  0.208937  0.370126  1
  P  P85  1  0.480207  0.584727  0.370076  1
  P  P86  1  0.474694  0.914433  0.470570  1
  P  P87  1  0.722438  0.376186  0.419124  1
  P  P88  1  0.728142  0.044703  0.320360  1
  P  P89  1  0.224963  0.464223  0.369735  1
  P  P90  1  0.222653  0.791697  0.470129  1
  P  P91  1  0.970567  0.754566  0.419283  1
  P  P92  1  0.988532  0.418822  0.318647  1
  P  P93  1  0.224028  0.620535  0.419471  1
  P  P94  1  0.230282  0.294502  0.319478  1
  P  P95  1  0.731906  0.457352  0.367571  1
  P  P96  1  0.722428  0.787826  0.468482  1
  P  P97  1  0.965687  0.579556  0.520331  1
  P  P98  1  0.959041  0.910174  0.619046  1
  P  P99  1  0.464692  0.330285  0.519700  1
  P  P100  1  0.459470  0.661904  0.621200  1
  P  P101  1  0.963806  0.495860  0.570334  1
  P  P102  1  0.956741  0.823660  0.673181  1
  P  P103  1  0.966155  0.330794  0.522228  1
  P  P104  1  0.959613  0.662543  0.622139  1
  P  P105  1  0.468682  0.497720  0.569801  1
  P  P106  1  0.466438  0.829103  0.671457  1
  P  P107  1  0.719162  0.207694  0.520089  1
  P  P108  1  0.713362  0.539040  0.619668  1
  P  P109  1  0.718556  0.370158  0.571230  1
  P  P110  1  0.701539  0.701969  0.673343  1
  P  P111  1  0.448404  0.074251  0.670940  1
  P  P112  1  0.464680  0.745574  0.571099  1
  P  P113  1  0.220144  0.456426  0.520692  1
  P  P114  1  0.215325  0.789240  0.622621  1
  P  P115  1  0.218068  0.369788  0.570612  1
  P  P116  1  0.211951  0.701987  0.671524  1
  P  P117  1  0.954754  0.077418  0.673478  1
  P  P118  1  0.972100  0.746354  0.571882  1
  P  P119  1  0.221288  0.206844  0.520267  1
  P  P120  1  0.218684  0.538130  0.621585  1
  P  P121  1  0.693713  0.954362  0.671619  1
  P  P122  1  0.720191  0.622840  0.570685  1
  P  P123  1  0.467227  0.585432  0.519759  1
  P  P124  1  0.471057  0.915980  0.619673  1
  P  P125  1  0.720413  0.451698  0.519710  1
  P  P126  1  0.716149  0.783480  0.621673  1
  P  P127  1  0.213696  0.946002  0.665605  1
  P  P128  1  0.220348  0.619234  0.569469  1
  P  P129  1  0.459041  0.410174  0.619046  1
  P  P130  1  0.465687  0.079556  0.520331  1
  P  P131  1  0.959470  0.161904  0.621200  1
  P  P132  1  0.964692  0.830285  0.519700  1
  P  P133  1  0.456741  0.323660  0.673181  1
  P  P134  1  0.463806  0.995860  0.570334  1
  P  P135  1  0.459613  0.162543  0.622139  1
  P  P136  1  0.466155  0.830794  0.522228  1
  P  P137  1  0.966438  0.329103  0.671457  1
  P  P138  1  0.968682  0.997720  0.569801  1
  P  P139  1  0.213362  0.039040  0.619668  1
  P  P140  1  0.219162  0.707694  0.520089  1
  P  P141  1  0.201539  0.201969  0.673343  1
  P  P142  1  0.218556  0.870158  0.571230  1
  P  P143  1  0.964680  0.245574  0.571099  1
  P  P144  1  0.948404  0.574251  0.670940  1
  P  P145  1  0.715325  0.289240  0.622621  1
  P  P146  1  0.720144  0.956426  0.520692  1
  P  P147  1  0.711951  0.201987  0.671524  1
  P  P148  1  0.718068  0.869788  0.570612  1
  P  P149  1  0.472100  0.246354  0.571882  1
  P  P150  1  0.454754  0.577418  0.673478  1
  P  P151  1  0.718684  0.038130  0.621585  1
  P  P152  1  0.721288  0.706844  0.520267  1
  P  P153  1  0.220191  0.122840  0.570685  1
  P  P154  1  0.193713  0.454362  0.671619  1
  P  P155  1  0.971057  0.415980  0.619673  1
  P  P156  1  0.967227  0.085432  0.519759  1
  P  P157  1  0.216149  0.283480  0.621673  1
  P  P158  1  0.220413  0.951698  0.519710  1
  P  P159  1  0.720348  0.119234  0.569469  1
  P  P160  1  0.713696  0.446002  0.665605  1
