# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12039568
_cell_length_b   18.52932520
_cell_length_c   50.17450066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe48 P48'
_cell_volume   2901.03073542
_cell_formula_units_Z   48
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  0.252975  0.272226  0.334780  1
  Fe  Fe2  1  0.252975  0.972256  0.300190  1
  Fe  Fe3  1  0.252975  0.575463  0.373003  1
  Fe  Fe4  1  0.752975  0.147825  0.322327  1
  Fe  Fe5  1  0.752975  0.855691  0.288355  1
  Fe  Fe6  1  0.752975  0.449129  0.360542  1
  Fe  Fe7  1  0.752975  0.074027  0.375667  1
  Fe  Fe8  1  0.752975  0.770220  0.337863  1
  Fe  Fe9  1  0.752975  0.472952  0.302031  1
  Fe  Fe10  1  0.252975  0.359770  0.286046  1
  Fe  Fe11  1  0.252975  0.950721  0.359035  1
  Fe  Fe12  1  0.252975  0.651363  0.320141  1
  Fe  Fe13  1  0.252975  0.177214  0.447249  1
  Fe  Fe14  1  0.252975  0.876134  0.410748  1
  Fe  Fe15  1  0.252975  0.478184  0.484248  1
  Fe  Fe16  1  0.752975  0.050238  0.434253  1
  Fe  Fe17  1  0.752975  0.748511  0.397261  1
  Fe  Fe18  1  0.752975  0.351093  0.471109  1
  Fe  Fe19  1  0.752975  0.976131  0.486651  1
  Fe  Fe20  1  0.752975  0.674929  0.449499  1
  Fe  Fe21  1  0.752975  0.373811  0.412482  1
  Fe  Fe22  1  0.252975  0.251125  0.394850  1
  Fe  Fe23  1  0.252975  0.852585  0.469099  1
  Fe  Fe24  1  0.252975  0.551978  0.431811  1
  Fe  Fe25  1  0.252975  0.079689  0.558194  1
  Fe  Fe26  1  0.252975  0.778833  0.521338  1
  Fe  Fe27  1  0.252975  0.381416  0.595186  1
  Fe  Fe28  1  0.752975  0.952713  0.545198  1
  Fe  Fe29  1  0.752975  0.651742  0.508199  1
  Fe  Fe30  1  0.752975  0.253793  0.581699  1
  Fe  Fe31  1  0.752975  0.878801  0.597597  1
  Fe  Fe32  1  0.752975  0.577949  0.560637  1
  Fe  Fe33  1  0.752975  0.277342  0.523349  1
  Fe  Fe34  1  0.252975  0.153795  0.505796  1
  Fe  Fe35  1  0.252975  0.756116  0.579965  1
  Fe  Fe36  1  0.252975  0.454998  0.542948  1
  Fe  Fe37  1  0.252975  0.982102  0.670120  1
  Fe  Fe38  1  0.252975  0.680797  0.631905  1
  Fe  Fe39  1  0.252975  0.274236  0.704092  1
  Fe  Fe40  1  0.752975  0.857701  0.657667  1
  Fe  Fe41  1  0.752975  0.554464  0.619444  1
  Fe  Fe42  1  0.752975  0.157671  0.692257  1
  Fe  Fe43  1  0.752975  0.770157  0.706401  1
  Fe  Fe44  1  0.752975  0.478564  0.672306  1
  Fe  Fe45  1  0.752975  0.179206  0.633412  1
  Fe  Fe46  1  0.252975  0.055900  0.616780  1
  Fe  Fe47  1  0.252975  0.656975  0.690416  1
  Fe  Fe48  1  0.252975  0.359706  0.654584  1
  P  P49  1  0.252975  0.102046  0.287047  1
  P  P50  1  0.252975  0.707983  0.362201  1
  P  P51  1  0.252975  0.406438  0.327123  1
  P  P52  1  0.752975  0.314035  0.370771  1
  P  P53  1  0.752975  0.016316  0.334620  1
  P  P54  1  0.752975  0.721676  0.293203  1
  P  P55  1  0.752975  0.262076  0.298231  1
  P  P56  1  0.752975  0.861448  0.377498  1
  P  P57  1  0.752975  0.562315  0.338873  1
  P  P58  1  0.252975  0.161889  0.356383  1
  P  P59  1  0.252975  0.860778  0.321823  1
  P  P60  1  0.252975  0.560133  0.281360  1
  P  P61  1  0.252975  0.009245  0.399795  1
  P  P62  1  0.252975  0.610724  0.473429  1
  P  P63  1  0.252975  0.309881  0.436458  1
  P  P64  1  0.752975  0.218278  0.481942  1
  P  P65  1  0.752975  0.917180  0.445291  1
  P  P66  1  0.752975  0.616257  0.407803  1
  P  P67  1  0.752975  0.163194  0.413603  1
  P  P68  1  0.752975  0.764667  0.487822  1
  P  P69  1  0.752975  0.464001  0.450693  1
  P  P70  1  0.252975  0.064132  0.467736  1
  P  P71  1  0.252975  0.762866  0.430844  1
  P  P72  1  0.252975  0.462062  0.393803  1
  P  P73  1  0.252975  0.911649  0.510505  1
  P  P74  1  0.252975  0.513670  0.584644  1
  P  P75  1  0.252975  0.212747  0.547156  1
  P  P76  1  0.752975  0.120682  0.592652  1
  P  P77  1  0.752975  0.820046  0.555989  1
  P  P78  1  0.752975  0.519203  0.519018  1
  P  P79  1  0.752975  0.065795  0.524711  1
  P  P80  1  0.752975  0.667865  0.598644  1
  P  P81  1  0.752975  0.367060  0.561603  1
  P  P82  1  0.252975  0.966733  0.578844  1
  P  P83  1  0.252975  0.665926  0.541754  1
  P  P84  1  0.252975  0.365260  0.504625  1
  P  P85  1  0.252975  0.815892  0.621676  1
  P  P86  1  0.252975  0.408250  0.699245  1
  P  P87  1  0.252975  0.113611  0.657827  1
  P  P88  1  0.752975  0.027881  0.705400  1
  P  P89  1  0.752975  0.723488  0.665324  1
  P  P90  1  0.752975  0.421944  0.630246  1
  P  P91  1  0.752975  0.968038  0.636064  1
  P  P92  1  0.752975  0.569794  0.711087  1
  P  P93  1  0.752975  0.269149  0.670624  1
  P  P94  1  0.252975  0.867851  0.694216  1
  P  P95  1  0.252975  0.567612  0.653575  1
  P  P96  1  0.252975  0.268479  0.614949  1
