# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.18889712
_cell_length_b   8.58672462
_cell_length_c   48.74745738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.78702516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe80 P80'
_cell_volume   5180.63308699
_cell_formula_units_Z   80
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  0.072526  0.088635  0.306076  1
  Fe  Fe2  1  0.572526  0.088635  0.306076  1
  Fe  Fe3  1  0.008712  0.877212  0.341363  1
  Fe  Fe4  1  0.508712  0.877212  0.341363  1
  Fe  Fe5  1  0.482333  0.213899  0.354677  1
  Fe  Fe6  1  0.982333  0.213899  0.354677  1
  Fe  Fe7  1  0.542490  0.433152  0.320051  1
  Fe  Fe8  1  0.042490  0.433152  0.320051  1
  Fe  Fe9  1  0.256104  0.373097  0.339808  1
  Fe  Fe10  1  0.756104  0.373097  0.339808  1
  Fe  Fe11  1  0.317879  0.611802  0.305855  1
  Fe  Fe12  1  0.817879  0.611802  0.305855  1
  Fe  Fe13  1  0.293982  0.937703  0.319108  1
  Fe  Fe14  1  0.793982  0.937703  0.319108  1
  Fe  Fe15  1  0.236923  0.694798  0.357613  1
  Fe  Fe16  1  0.736923  0.694798  0.357613  1
  Fe  Fe17  1  0.944844  0.610060  0.388143  1
  Fe  Fe18  1  0.444844  0.610060  0.388143  1
  Fe  Fe19  1  0.884850  0.383833  0.427449  1
  Fe  Fe20  1  0.384850  0.383833  0.427449  1
  Fe  Fe21  1  0.357189  0.723564  0.441026  1
  Fe  Fe22  1  0.857189  0.723564  0.441026  1
  Fe  Fe23  1  0.416212  0.956015  0.400474  1
  Fe  Fe24  1  0.916212  0.956015  0.400474  1
  Fe  Fe25  1  0.126367  0.887348  0.426918  1
  Fe  Fe26  1  0.626367  0.887348  0.426918  1
  Fe  Fe27  1  0.187651  0.117966  0.387989  1
  Fe  Fe28  1  0.687651  0.117966  0.387989  1
  Fe  Fe29  1  0.178264  0.469555  0.397695  1
  Fe  Fe30  1  0.678264  0.469555  0.397695  1
  Fe  Fe31  1  0.112658  0.213075  0.443090  1
  Fe  Fe32  1  0.612658  0.213075  0.443090  1
  Fe  Fe33  1  0.824807  0.147557  0.469354  1
  Fe  Fe34  1  0.324807  0.147557  0.469354  1
  Fe  Fe35  1  0.764862  0.912104  0.511352  1
  Fe  Fe36  1  0.264862  0.912104  0.511352  1
  Fe  Fe37  1  0.236776  0.256764  0.524166  1
  Fe  Fe38  1  0.736776  0.256764  0.524166  1
  Fe  Fe39  1  0.296721  0.492217  0.482169  1
  Fe  Fe40  1  0.796721  0.492217  0.482169  1
  Fe  Fe41  1  0.006778  0.417522  0.510236  1
  Fe  Fe42  1  0.506778  0.417522  0.510236  1
  Fe  Fe43  1  0.066891  0.651193  0.468701  1
  Fe  Fe44  1  0.566891  0.651193  0.468701  1
  Fe  Fe45  1  0.054805  0.986799  0.483285  1
  Fe  Fe46  1  0.554805  0.986799  0.483285  1
  Fe  Fe47  1  0.994691  0.753128  0.524819  1
  Fe  Fe48  1  0.494691  0.753128  0.524819  1
  Fe  Fe49  1  0.704394  0.680757  0.552494  1
  Fe  Fe50  1  0.204394  0.680757  0.552494  1
  Fe  Fe51  1  0.645371  0.448306  0.593047  1
  Fe  Fe52  1  0.145371  0.448306  0.593047  1
  Fe  Fe53  1  0.116738  0.794262  0.605378  1
  Fe  Fe54  1  0.616738  0.794262  0.605378  1
  Fe  Fe55  1  0.176733  0.020489  0.566072  1
  Fe  Fe56  1  0.676733  0.020489  0.566072  1
  Fe  Fe57  1  0.883318  0.934766  0.595826  1
  Fe  Fe58  1  0.383318  0.934766  0.595826  1
  Fe  Fe59  1  0.948924  0.191246  0.550431  1
  Fe  Fe60  1  0.448924  0.191246  0.550431  1
  Fe  Fe61  1  0.935216  0.516973  0.566603  1
  Fe  Fe62  1  0.435216  0.516973  0.566603  1
  Fe  Fe63  1  0.873932  0.286355  0.605532  1
  Fe  Fe64  1  0.373932  0.286355  0.605532  1
  Fe  Fe65  1  0.579250  0.190423  0.638844  1
  Fe  Fe66  1  0.079250  0.190423  0.638844  1
  Fe  Fe67  1  0.519093  0.971169  0.673470  1
  Fe  Fe68  1  0.019093  0.971169  0.673470  1
  Fe  Fe69  1  0.989056  0.315687  0.687445  1
  Fe  Fe70  1  0.489056  0.315687  0.687445  1
  Fe  Fe71  1  0.052870  0.527109  0.652157  1
  Fe  Fe72  1  0.552870  0.527109  0.652157  1
  Fe  Fe73  1  0.767600  0.466618  0.674412  1
  Fe  Fe74  1  0.267600  0.466618  0.674412  1
  Fe  Fe75  1  0.824659  0.709524  0.635908  1
  Fe  Fe76  1  0.324659  0.709524  0.635908  1
  Fe  Fe77  1  0.805479  0.031224  0.653713  1
  Fe  Fe78  1  0.305479  0.031224  0.653713  1
  Fe  Fe79  1  0.743704  0.792520  0.687666  1
  Fe  Fe80  1  0.243704  0.792520  0.687666  1
  P  P81  1  0.098090  0.372154  0.364464  1
  P  P82  1  0.598090  0.372154  0.364464  1
  P  P83  1  0.150672  0.622345  0.317769  1
  P  P84  1  0.650672  0.622345  0.317769  1
  P  P85  1  0.454618  0.939212  0.292409  1
  P  P86  1  0.954618  0.939212  0.292409  1
  P  P87  1  0.406040  0.690468  0.338651  1
  P  P88  1  0.906040  0.690468  0.338651  1
  P  P89  1  0.197739  0.225514  0.298990  1
  P  P90  1  0.697739  0.225514  0.298990  1
  P  P91  1  0.140449  0.987049  0.346472  1
  P  P92  1  0.640449  0.987049  0.346472  1
  P  P93  1  0.351576  0.083979  0.356292  1
  P  P94  1  0.851576  0.083979  0.356292  1
  P  P95  1  0.413511  0.325613  0.308868  1
  P  P96  1  0.913511  0.325613  0.308868  1
  P  P97  1  0.967351  0.899127  0.448104  1
  P  P98  1  0.467351  0.899127  0.448104  1
  P  P99  1  0.025160  0.138136  0.405748  1
  P  P100  1  0.525160  0.138136  0.405748  1
  P  P101  1  0.338998  0.444692  0.377867  1
  P  P102  1  0.838998  0.444692  0.377867  1
  P  P103  1  0.273119  0.213365  0.420672  1
  P  P104  1  0.773119  0.213365  0.420672  1
  P  P105  1  0.072289  0.749901  0.385305  1
  P  P106  1  0.572289  0.749901  0.385305  1
  P  P107  1  0.016864  0.506058  0.428880  1
  P  P108  1  0.516864  0.506058  0.428880  1
  P  P109  1  0.227630  0.600919  0.439558  1
  P  P110  1  0.727630  0.600919  0.439558  1
  P  P111  1  0.290619  0.834081  0.398304  1
  P  P112  1  0.790619  0.834081  0.398304  1
  P  P113  1  0.845657  0.433481  0.530913  1
  P  P114  1  0.345657  0.433481  0.530913  1
  P  P115  1  0.907525  0.664812  0.489598  1
  P  P116  1  0.407525  0.664812  0.489598  1
  P  P117  1  0.215926  0.970840  0.462608  1
  P  P118  1  0.715926  0.970840  0.462608  1
  P  P119  1  0.154058  0.739509  0.503923  1
  P  P120  1  0.654058  0.739509  0.503923  1
  P  P121  1  0.951922  0.274358  0.470254  1
  P  P122  1  0.451922  0.274358  0.470254  1
  P  P123  1  0.892573  0.040221  0.511880  1
  P  P124  1  0.392573  0.040221  0.511880  1
  P  P125  1  0.109660  0.129963  0.523267  1
  P  P126  1  0.609660  0.129963  0.523267  1
  P  P127  1  0.169009  0.364101  0.481641  1
  P  P128  1  0.669009  0.364101  0.481641  1
  P  P129  1  0.722585  0.959630  0.615654  1
  P  P130  1  0.222585  0.959630  0.615654  1
  P  P131  1  0.788464  0.190957  0.572849  1
  P  P132  1  0.288464  0.190957  0.572849  1
  P  P133  1  0.094231  0.505194  0.545417  1
  P  P134  1  0.594231  0.505194  0.545417  1
  P  P135  1  0.036423  0.266185  0.587773  1
  P  P136  1  0.536423  0.266185  0.587773  1
  P  P137  1  0.833953  0.803402  0.553962  1
  P  P138  1  0.333953  0.803402  0.553962  1
  P  P139  1  0.770964  0.570240  0.595217  1
  P  P140  1  0.270964  0.570240  0.595217  1
  P  P141  1  0.989293  0.654420  0.608216  1
  P  P142  1  0.489293  0.654420  0.608216  1
  P  P143  1  0.044719  0.898263  0.564641  1
  P  P144  1  0.544719  0.898263  0.564641  1
  P  P145  1  0.606965  0.465109  0.701112  1
  P  P146  1  0.106965  0.465109  0.701112  1
  P  P147  1  0.655542  0.713853  0.654870  1
  P  P148  1  0.155542  0.713853  0.654870  1
  P  P149  1  0.963493  0.032168  0.629057  1
  P  P150  1  0.463493  0.032168  0.629057  1
  P  P151  1  0.910911  0.781976  0.675752  1
  P  P152  1  0.410911  0.781976  0.675752  1
  P  P153  1  0.710007  0.320342  0.637229  1
  P  P154  1  0.210007  0.320342  0.637229  1
  P  P155  1  0.648072  0.078708  0.684653  1
  P  P156  1  0.148072  0.078708  0.684653  1
  P  P157  1  0.863844  0.178808  0.694531  1
  P  P158  1  0.363844  0.178808  0.694531  1
  P  P159  1  0.921133  0.417272  0.647049  1
  P  P160  1  0.421133  0.417272  0.647049  1
