# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89771352
_cell_length_b   8.54858876
_cell_length_c   47.04701039
_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   'Fe40 P40'
_cell_volume   2371.97512014
_cell_formula_units_Z   40
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  0.710611  0.051509  0.327575  1
  Fe  Fe2  1  0.719003  0.318501  0.288359  1
  Fe  Fe3  1  0.289055  0.929352  0.351266  1
  Fe  Fe4  1  0.310977  0.194007  0.309872  1
  Fe  Fe5  1  0.190807  0.694007  0.309872  1
  Fe  Fe6  1  0.212729  0.429352  0.351266  1
  Fe  Fe7  1  0.782781  0.818501  0.288359  1
  Fe  Fe8  1  0.791173  0.551509  0.327575  1
  Fe  Fe9  1  0.707849  0.511372  0.418337  1
  Fe  Fe10  1  0.703855  0.778976  0.373628  1
  Fe  Fe11  1  0.292582  0.386168  0.443021  1
  Fe  Fe12  1  0.293381  0.651719  0.398138  1
  Fe  Fe13  1  0.208402  0.151719  0.398138  1
  Fe  Fe14  1  0.209202  0.886168  0.443021  1
  Fe  Fe15  1  0.797928  0.278976  0.373628  1
  Fe  Fe16  1  0.793935  0.011372  0.418337  1
  Fe  Fe17  1  0.708818  0.973387  0.509554  1
  Fe  Fe18  1  0.709272  0.241063  0.464326  1
  Fe  Fe19  1  0.292512  0.848492  0.533943  1
  Fe  Fe20  1  0.292966  0.116168  0.488715  1
  Fe  Fe21  1  0.208818  0.616168  0.488715  1
  Fe  Fe22  1  0.209272  0.348492  0.533943  1
  Fe  Fe23  1  0.792512  0.741063  0.464326  1
  Fe  Fe24  1  0.792966  0.473387  0.509554  1
  Fe  Fe25  1  0.708402  0.437835  0.600130  1
  Fe  Fe26  1  0.709202  0.703387  0.555247  1
  Fe  Fe27  1  0.297928  0.310578  0.624641  1
  Fe  Fe28  1  0.293935  0.578183  0.579931  1
  Fe  Fe29  1  0.207849  0.078183  0.579931  1
  Fe  Fe30  1  0.203855  0.810578  0.624641  1
  Fe  Fe31  1  0.792582  0.203387  0.555247  1
  Fe  Fe32  1  0.793381  0.937835  0.600130  1
  Fe  Fe33  1  0.690807  0.895548  0.688397  1
  Fe  Fe34  1  0.712729  0.160203  0.647002  1
  Fe  Fe35  1  0.282781  0.771054  0.709910  1
  Fe  Fe36  1  0.291173  0.038045  0.670694  1
  Fe  Fe37  1  0.210611  0.538045  0.670694  1
  Fe  Fe38  1  0.219003  0.271054  0.709910  1
  Fe  Fe39  1  0.789055  0.660203  0.647002  1
  Fe  Fe40  1  0.810977  0.395548  0.688397  1
  P  P41  1  0.089825  0.959353  0.303400  1
  P  P42  1  0.072417  0.682636  0.354293  1
  P  P43  1  0.916754  0.574588  0.277331  1
  P  P44  1  0.934674  0.299160  0.326877  1
  P  P45  1  0.567110  0.799160  0.326877  1
  P  P46  1  0.585030  0.074588  0.277331  1
  P  P47  1  0.429367  0.182636  0.354293  1
  P  P48  1  0.411959  0.459353  0.303400  1
  P  P49  1  0.077711  0.408264  0.398367  1
  P  P50  1  0.078303  0.139609  0.444096  1
  P  P51  1  0.925493  0.025211  0.371276  1
  P  P52  1  0.922971  0.757740  0.418178  1
  P  P53  1  0.578813  0.257740  0.418178  1
  P  P54  1  0.576291  0.525211  0.371276  1
  P  P55  1  0.423481  0.639609  0.444096  1
  P  P56  1  0.424073  0.908264  0.398367  1
  P  P57  1  0.078079  0.870451  0.489356  1
  P  P58  1  0.078472  0.601876  0.534986  1
  P  P59  1  0.923312  0.487678  0.463282  1
  P  P60  1  0.923704  0.219104  0.508912  1
  P  P61  1  0.578079  0.719104  0.508912  1
  P  P62  1  0.578472  0.987678  0.463282  1
  P  P63  1  0.423312  0.101876  0.534986  1
  P  P64  1  0.423704  0.370451  0.489356  1
  P  P65  1  0.078813  0.331814  0.580091  1
  P  P66  1  0.076291  0.064343  0.626992  1
  P  P67  1  0.923481  0.949946  0.554173  1
  P  P68  1  0.924073  0.681291  0.599902  1
  P  P69  1  0.577711  0.181291  0.599902  1
  P  P70  1  0.578303  0.449946  0.554173  1
  P  P71  1  0.425493  0.564343  0.626992  1
  P  P72  1  0.422971  0.831814  0.580091  1
  P  P73  1  0.067110  0.790394  0.671392  1
  P  P74  1  0.085030  0.514966  0.720938  1
  P  P75  1  0.929367  0.406919  0.643976  1
  P  P76  1  0.911959  0.130202  0.694868  1
  P  P77  1  0.589825  0.630202  0.694868  1
  P  P78  1  0.572417  0.906919  0.643976  1
  P  P79  1  0.416754  0.014966  0.720938  1
  P  P80  1  0.434674  0.290394  0.671392  1
