# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85629174
_cell_length_b   9.55181146
_cell_length_c   47.54380968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.97306064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe20 P80'
_cell_volume   4917.76518623
_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  0.463380  0.892260  0.305030  1
  Fe  Fe2  1  0.666157  0.284526  0.328629  1
  Fe  Fe3  1  0.963380  0.892260  0.305030  1
  Fe  Fe4  1  0.166157  0.284526  0.328629  1
  Fe  Fe5  1  0.263275  0.485769  0.395475  1
  Fe  Fe6  1  0.470816  0.880194  0.419018  1
  Fe  Fe7  1  0.763275  0.485769  0.395475  1
  Fe  Fe8  1  0.970816  0.880194  0.419018  1
  Fe  Fe9  1  0.066848  0.081671  0.486680  1
  Fe  Fe10  1  0.273489  0.476800  0.510022  1
  Fe  Fe11  1  0.566848  0.081671  0.486680  1
  Fe  Fe12  1  0.773489  0.476800  0.510022  1
  Fe  Fe13  1  0.869521  0.678278  0.577684  1
  Fe  Fe14  1  0.077062  0.072702  0.601226  1
  Fe  Fe15  1  0.369521  0.678278  0.577684  1
  Fe  Fe16  1  0.577062  0.072702  0.601226  1
  Fe  Fe17  1  0.674180  0.273945  0.668073  1
  Fe  Fe18  1  0.876957  0.666211  0.691672  1
  Fe  Fe19  1  0.174180  0.273945  0.668073  1
  Fe  Fe20  1  0.376957  0.666211  0.691672  1
  P  P21  1  0.016882  0.991553  0.341006  1
  P  P22  1  0.207775  0.641761  0.359738  1
  P  P23  1  0.508745  0.494863  0.339797  1
  P  P24  1  0.324546  0.332708  0.316125  1
  P  P25  1  0.618505  0.180114  0.291949  1
  P  P26  1  0.117443  0.676663  0.292358  1
  P  P27  1  0.420258  0.536334  0.274532  1
  P  P28  1  0.305634  0.840350  0.315565  1
  P  P29  1  0.516882  0.991553  0.341006  1
  P  P30  1  0.707775  0.641761  0.359738  1
  P  P31  1  0.008745  0.494863  0.339797  1
  P  P32  1  0.824546  0.332708  0.316125  1
  P  P33  1  0.118505  0.180114  0.291949  1
  P  P34  1  0.617443  0.676663  0.292358  1
  P  P35  1  0.920258  0.536334  0.274532  1
  P  P36  1  0.805634  0.840350  0.315565  1
  P  P37  1  0.817656  0.587577  0.431383  1
  P  P38  1  0.010275  0.238875  0.451136  1
  P  P39  1  0.313737  0.090256  0.431056  1
  P  P40  1  0.128411  0.930853  0.408018  1
  P  P41  1  0.416951  0.777499  0.383180  1
  P  P42  1  0.920642  0.275934  0.383606  1
  P  P43  1  0.225120  0.126291  0.363815  1
  P  P44  1  0.106152  0.434719  0.406761  1
  P  P45  1  0.317656  0.587577  0.431383  1
  P  P46  1  0.510275  0.238875  0.451136  1
  P  P47  1  0.813737  0.090256  0.431056  1
  P  P48  1  0.628411  0.930853  0.408018  1
  P  P49  1  0.916951  0.777499  0.383180  1
  P  P50  1  0.420642  0.275934  0.383606  1
  P  P51  1  0.725120  0.126291  0.363815  1
  P  P52  1  0.606152  0.434719  0.406761  1
  P  P53  1  0.620772  0.184222  0.522503  1
  P  P54  1  0.813257  0.835360  0.542150  1
  P  P55  1  0.116284  0.686800  0.521999  1
  P  P56  1  0.930937  0.527533  0.498903  1
  P  P57  1  0.219565  0.374249  0.474199  1
  P  P58  1  0.724052  0.871671  0.474702  1
  P  P59  1  0.027080  0.723111  0.454552  1
  P  P60  1  0.909400  0.030938  0.497799  1
  P  P61  1  0.120772  0.184222  0.522503  1
  P  P62  1  0.313257  0.835360  0.542150  1
  P  P63  1  0.616284  0.686800  0.521999  1
  P  P64  1  0.430937  0.527533  0.498903  1
  P  P65  1  0.719565  0.374249  0.474199  1
  P  P66  1  0.224052  0.871671  0.474702  1
  P  P67  1  0.527080  0.723111  0.454552  1
  P  P68  1  0.409400  0.030938  0.497799  1
  P  P69  1  0.423386  0.780972  0.613522  1
  P  P70  1  0.615217  0.432180  0.632887  1
  P  P71  1  0.919695  0.282537  0.613096  1
  P  P72  1  0.734184  0.123752  0.589941  1
  P  P73  1  0.022681  0.970894  0.565319  1
  P  P74  1  0.526600  0.468215  0.565646  1
  P  P75  1  0.830062  0.319596  0.545566  1
  P  P76  1  0.711926  0.627618  0.588683  1
  P  P77  1  0.923386  0.780972  0.613522  1
  P  P78  1  0.115217  0.432180  0.632887  1
  P  P79  1  0.419695  0.282537  0.613096  1
  P  P80  1  0.234184  0.123752  0.589941  1
  P  P81  1  0.522681  0.970894  0.565319  1
  P  P82  1  0.026600  0.468215  0.565646  1
  P  P83  1  0.330062  0.319596  0.545566  1
  P  P84  1  0.211926  0.627618  0.588683  1
  P  P85  1  0.221832  0.378357  0.704753  1
  P  P86  1  0.420079  0.022137  0.722170  1
  P  P87  1  0.722893  0.881808  0.704343  1
  P  P88  1  0.534703  0.718122  0.681137  1
  P  P89  1  0.823455  0.566918  0.655695  1
  P  P90  1  0.331592  0.063608  0.656904  1
  P  P91  1  0.632562  0.916710  0.636964  1
  P  P92  1  0.515791  0.225763  0.680577  1
  P  P93  1  0.721832  0.378357  0.704753  1
  P  P94  1  0.920079  0.022137  0.722170  1
  P  P95  1  0.222893  0.881808  0.704343  1
  P  P96  1  0.034703  0.718122  0.681137  1
  P  P97  1  0.323455  0.566918  0.655695  1
  P  P98  1  0.831592  0.063608  0.656904  1
  P  P99  1  0.132562  0.916710  0.636964  1
  P  P100  1  0.015791  0.225763  0.680577  1
