# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80629586
_cell_length_b   20.50749534
_cell_length_c   51.27258893
_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   7156.63209776
_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  1.000768  0.353272  0.333584  1
  Fe  Fe2  1  1.000768  0.801105  0.273777  1
  Fe  Fe3  1  0.500768  0.415186  0.259251  1
  Fe  Fe4  1  0.500768  0.966834  0.319448  1
  Fe  Fe5  1  0.500768  0.577377  0.304512  1
  Fe  Fe6  1  0.500768  0.130905  0.366127  1
  Fe  Fe7  1  1.000768  0.745194  0.350158  1
  Fe  Fe8  1  1.000768  0.189264  0.289160  1
  Fe  Fe9  1  1.000768  0.462059  0.459930  1
  Fe  Fe10  1  1.000768  0.907741  0.397825  1
  Fe  Fe11  1  0.500768  0.522267  0.381457  1
  Fe  Fe12  1  0.500768  0.076658  0.444357  1
  Fe  Fe13  1  0.500768  0.684746  0.428768  1
  Fe  Fe14  1  0.500768  0.239434  0.491399  1
  Fe  Fe15  1  1.000768  0.853466  0.475465  1
  Fe  Fe16  1  1.000768  0.299684  0.413060  1
  Fe  Fe17  1  1.000768  0.570332  0.585161  1
  Fe  Fe18  1  1.000768  0.016550  0.522755  1
  Fe  Fe19  1  0.500768  0.630583  0.506821  1
  Fe  Fe20  1  0.500768  0.185271  0.569452  1
  Fe  Fe21  1  0.500768  0.793359  0.553863  1
  Fe  Fe22  1  0.500768  0.347750  0.616763  1
  Fe  Fe23  1  1.000768  0.962276  0.600395  1
  Fe  Fe24  1  1.000768  0.407958  0.538290  1
  Fe  Fe25  1  1.000768  0.680753  0.709061  1
  Fe  Fe26  1  1.000768  0.124823  0.648063  1
  Fe  Fe27  1  0.500768  0.739112  0.632093  1
  Fe  Fe28  1  0.500768  0.292640  0.693708  1
  Fe  Fe29  1  0.500768  0.903183  0.678772  1
  Fe  Fe30  1  0.500768  0.454831  0.738969  1
  Fe  Fe31  1  1.000768  0.068912  0.724443  1
  Fe  Fe32  1  1.000768  0.516745  0.664636  1
  P  P33  1  0.500768  0.599801  0.262808  1
  P  P34  1  0.500768  0.160469  0.324933  1
  P  P35  1  0.255325  0.738795  0.280835  1
  P  P36  1  0.255655  0.293678  0.343365  1
  P  P37  1  0.500768  0.435422  0.356788  1
  P  P38  1  0.500768  0.880754  0.293475  1
  P  P39  1  0.256910  0.248051  0.278547  1
  P  P40  1  0.257045  0.805119  0.341822  1
  P  P41  1  0.500768  0.381380  0.298467  1
  P  P42  1  0.500768  0.937658  0.360355  1
  P  P43  1  0.500768  0.664584  0.328548  1
  P  P44  1  0.500768  0.104386  0.265721  1
  P  P45  1  0.744626  0.248051  0.278547  1
  P  P46  1  0.744491  0.805119  0.341822  1
  P  P47  1  0.746211  0.738795  0.280835  1
  P  P48  1  0.745881  0.293678  0.343365  1
  P  P49  1  1.000768  0.381756  0.292299  1
  P  P50  1  1.000768  0.937913  0.356941  1
  P  P51  1  0.758137  0.516881  0.311892  1
  P  P52  1  0.751321  0.968145  0.252087  1
  P  P53  1  1.000768  0.658012  0.325482  1
  P  P54  1  1.000768  0.105797  0.262187  1
  P  P55  1  0.757918  0.581612  0.373075  1
  P  P56  1  0.756622  0.027850  0.311241  1
  P  P57  1  1.000768  0.604743  0.267161  1
  P  P58  1  1.000768  0.159869  0.329742  1
  P  P59  1  1.000768  0.439284  0.359022  1
  P  P60  1  1.000768  0.888982  0.297208  1
  P  P61  1  0.243618  0.581612  0.373075  1
  P  P62  1  0.244914  0.027850  0.311241  1
  P  P63  1  0.243398  0.516881  0.311892  1
  P  P64  1  0.250215  0.968145  0.252087  1
  P  P65  1  0.500768  0.714910  0.387864  1
  P  P66  1  0.500768  0.269501  0.450447  1
  P  P67  1  0.257343  0.848009  0.406100  1
  P  P68  1  0.257346  0.402621  0.468582  1
  P  P69  1  0.500768  0.543851  0.482028  1
  P  P70  1  0.500768  0.989571  0.419747  1
  P  P71  1  0.257125  0.359022  0.404210  1
  P  P72  1  0.257368  0.913161  0.467117  1
  P  P73  1  0.500768  0.492154  0.422425  1
  P  P74  1  0.500768  0.046605  0.485254  1
  P  P75  1  0.500768  0.771553  0.453543  1
  P  P76  1  0.500768  0.217611  0.390908  1
  P  P77  1  0.744410  0.359022  0.404210  1
  P  P78  1  0.744168  0.913161  0.467117  1
  P  P79  1  0.744193  0.848009  0.406100  1
  P  P80  1  0.744190  0.402621  0.468582  1
  P  P81  1  1.000768  0.491911  0.418944  1
  P  P82  1  1.000768  0.046511  0.481826  1
  P  P83  1  0.757463  0.625199  0.437227  1
  P  P84  1  0.756302  0.071067  0.375109  1
  P  P85  1  1.000768  0.766533  0.450771  1
  P  P86  1  1.000768  0.212785  0.388433  1
  P  P87  1  0.757323  0.690137  0.498267  1
  P  P88  1  0.757176  0.136297  0.435839  1
  P  P89  1  1.000768  0.715071  0.391112  1
  P  P90  1  1.000768  0.269502  0.453950  1
  P  P91  1  1.000768  0.548690  0.484790  1
  P  P92  1  1.000768  0.994722  0.422459  1
  P  P93  1  0.244212  0.690137  0.498267  1
  P  P94  1  0.244360  0.136297  0.435839  1
  P  P95  1  0.244072  0.625199  0.437227  1
  P  P96  1  0.245234  0.071067  0.375109  1
  P  P97  1  0.500768  0.823412  0.512966  1
  P  P98  1  0.500768  0.377863  0.575795  1
  P  P99  1  0.257368  0.956855  0.531104  1
  P  P100  1  0.257125  0.510995  0.594010  1
  P  P101  1  0.500768  0.652406  0.607312  1
  P  P102  1  0.500768  0.098464  0.544677  1
  P  P103  1  0.257346  0.467396  0.529638  1
  P  P104  1  0.257343  0.022008  0.592120  1
  P  P105  1  0.500768  0.600516  0.547773  1
  P  P106  1  0.500768  0.155107  0.610356  1
  P  P107  1  0.500768  0.880446  0.578473  1
  P  P108  1  0.500768  0.326165  0.516192  1
  P  P109  1  0.744190  0.467396  0.529638  1
  P  P110  1  0.744193  0.022008  0.592120  1
  P  P111  1  0.744168  0.956855  0.531104  1
  P  P112  1  0.744410  0.510995  0.594010  1
  P  P113  1  1.000768  0.600514  0.544270  1
  P  P114  1  1.000768  0.154946  0.607109  1
  P  P115  1  0.757176  0.733720  0.562381  1
  P  P116  1  0.757323  0.179880  0.499953  1
  P  P117  1  1.000768  0.875295  0.575761  1
  P  P118  1  1.000768  0.321327  0.513431  1
  P  P119  1  0.756302  0.798950  0.623112  1
  P  P120  1  0.757463  0.244818  0.560993  1
  P  P121  1  1.000768  0.823506  0.516394  1
  P  P122  1  1.000768  0.378106  0.579276  1
  P  P123  1  1.000768  0.657231  0.609787  1
  P  P124  1  1.000768  0.103484  0.547449  1
  P  P125  1  0.245234  0.798950  0.623112  1
  P  P126  1  0.244072  0.244818  0.560993  1
  P  P127  1  0.244360  0.733720  0.562381  1
  P  P128  1  0.244212  0.179880  0.499953  1
  P  P129  1  0.500768  0.932358  0.637866  1
  P  P130  1  0.500768  0.488637  0.699753  1
  P  P131  1  0.257045  0.064898  0.656398  1
  P  P132  1  0.256910  0.621966  0.719673  1
  P  P133  1  0.500768  0.765630  0.732499  1
  P  P134  1  0.500768  0.205433  0.669672  1
  P  P135  1  0.255655  0.576339  0.654855  1
  P  P136  1  0.255325  0.131222  0.717385  1
  P  P137  1  0.500768  0.709548  0.673287  1
  P  P138  1  0.500768  0.270216  0.735413  1
  P  P139  1  0.500768  0.989263  0.704745  1
  P  P140  1  0.500768  0.434595  0.641432  1
  P  P141  1  0.745881  0.576339  0.654855  1
  P  P142  1  0.746211  0.131222  0.717385  1
  P  P143  1  0.744491  0.064898  0.656398  1
  P  P144  1  0.744626  0.621966  0.719673  1
  P  P145  1  1.000768  0.710148  0.668478  1
  P  P146  1  1.000768  0.265273  0.731059  1
  P  P147  1  0.756622  0.842167  0.686979  1
  P  P148  1  0.757918  0.288405  0.625145  1
  P  P149  1  1.000768  0.981035  0.701013  1
  P  P150  1  1.000768  0.430733  0.639198  1
  P  P151  1  0.751321  0.901872  0.746133  1
  P  P152  1  0.758137  0.353136  0.686328  1
  P  P153  1  1.000768  0.932104  0.641279  1
  P  P154  1  1.000768  0.488261  0.705921  1
  P  P155  1  1.000768  0.764220  0.736033  1
  P  P156  1  1.000768  0.212005  0.672738  1
  P  P157  1  0.250215  0.901872  0.746133  1
  P  P158  1  0.243398  0.353136  0.686328  1
  P  P159  1  0.244914  0.842167  0.686979  1
  P  P160  1  0.243618  0.288405  0.625145  1
