# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66080579
_cell_length_b   18.06273143
_cell_length_c   47.72112266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe42 P84'
_cell_volume   4879.4664069
_cell_formula_units_Z   42
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  0.978783  0.896254  0.273359  1
  Fe  Fe2  1  0.014683  0.196587  0.293056  1
  Fe  Fe3  1  0.008862  0.526355  0.313602  1
  Fe  Fe4  1  0.497581  0.026355  0.313602  1
  Fe  Fe5  1  0.527660  0.396254  0.273359  1
  Fe  Fe6  1  0.491760  0.696587  0.293056  1
  Fe  Fe7  1  0.986342  0.855892  0.328110  1
  Fe  Fe8  1  1.002485  0.175544  0.351053  1
  Fe  Fe9  1  0.005557  0.495836  0.376279  1
  Fe  Fe10  1  0.500886  0.995836  0.376279  1
  Fe  Fe11  1  0.520100  0.355892  0.328110  1
  Fe  Fe12  1  0.503958  0.675544  0.351053  1
  Fe  Fe13  1  0.003426  0.815183  0.400609  1
  Fe  Fe14  1  0.005663  0.138469  0.424637  1
  Fe  Fe15  1  0.004092  0.466004  0.438397  1
  Fe  Fe16  1  0.502351  0.966004  0.438397  1
  Fe  Fe17  1  0.503017  0.315183  0.400609  1
  Fe  Fe18  1  0.500779  0.638469  0.424637  1
  Fe  Fe19  1  0.996913  0.788243  0.461751  1
  Fe  Fe20  1  1.003098  0.108154  0.487209  1
  Fe  Fe21  1  0.009070  0.427752  0.512756  1
  Fe  Fe22  1  0.497372  0.927752  0.512756  1
  Fe  Fe23  1  0.509530  0.288243  0.461751  1
  Fe  Fe24  1  0.503345  0.608154  0.487209  1
  Fe  Fe25  1  1.003016  0.749971  0.536223  1
  Fe  Fe26  1  1.001363  0.077764  0.549694  1
  Fe  Fe27  1  0.999352  0.400440  0.574043  1
  Fe  Fe28  1  0.507091  0.900440  0.574043  1
  Fe  Fe29  1  0.503427  0.249971  0.536223  1
  Fe  Fe30  1  0.505080  0.577764  0.549694  1
  Fe  Fe31  1  0.004241  0.719590  0.598608  1
  Fe  Fe32  1  1.003178  0.041252  0.624103  1
  Fe  Fe33  1  0.005314  0.364007  0.645395  1
  Fe  Fe34  1  0.501129  0.864007  0.645395  1
  Fe  Fe35  1  0.502201  0.219590  0.598608  1
  Fe  Fe36  1  0.503265  0.541252  0.624103  1
  Fe  Fe37  1  0.014277  0.688373  0.661692  1
  Fe  Fe38  1  0.984062  0.014323  0.685230  1
  Fe  Fe39  1  0.006971  0.335058  0.703359  1
  Fe  Fe40  1  0.499472  0.835058  0.703359  1
  Fe  Fe41  1  0.492166  0.188373  0.661692  1
  Fe  Fe42  1  0.522381  0.514323  0.685230  1
  P  P43  1  0.755291  0.997452  0.271022  1
  P  P44  1  0.770393  0.307371  0.289778  1
  P  P45  1  0.777176  0.635556  0.316086  1
  P  P46  1  0.244227  0.095624  0.278584  1
  P  P47  1  0.216413  0.416923  0.300497  1
  P  P48  1  0.226265  0.743658  0.322817  1
  P  P49  1  0.729266  0.135556  0.316086  1
  P  P50  1  0.751152  0.497452  0.271022  1
  P  P51  1  0.736050  0.807371  0.289778  1
  P  P52  1  0.290030  0.916923  0.300497  1
  P  P53  1  0.280177  0.243658  0.322817  1
  P  P54  1  0.262216  0.595624  0.278584  1
  P  P55  1  0.769348  0.961255  0.339726  1
  P  P56  1  0.768036  0.285013  0.360146  1
  P  P57  1  0.766495  0.607933  0.383659  1
  P  P58  1  0.230934  0.062400  0.346650  1
  P  P59  1  0.244116  0.384120  0.367884  1
  P  P60  1  0.240742  0.707316  0.390199  1
  P  P61  1  0.739948  0.107933  0.383659  1
  P  P62  1  0.737095  0.461255  0.339726  1
  P  P63  1  0.738407  0.785013  0.360146  1
  P  P64  1  0.262327  0.884120  0.367884  1
  P  P65  1  0.265701  0.207316  0.390199  1
  P  P66  1  0.275509  0.562400  0.346650  1
  P  P67  1  0.772862  0.927331  0.405027  1
  P  P68  1  0.778548  0.249341  0.427579  1
  P  P69  1  0.774687  0.572101  0.450567  1
  P  P70  1  0.230405  0.032173  0.412527  1
  P  P71  1  0.232907  0.354704  0.435086  1
  P  P72  1  0.230413  0.676581  0.457989  1
  P  P73  1  0.731756  0.072101  0.450567  1
  P  P74  1  0.733581  0.427331  0.405027  1
  P  P75  1  0.727895  0.749341  0.427579  1
  P  P76  1  0.273536  0.854704  0.435086  1
  P  P77  1  0.276030  0.176581  0.457989  1
  P  P78  1  0.276037  0.532173  0.412527  1
  P  P79  1  0.760469  0.896541  0.472427  1
  P  P80  1  0.767450  0.219829  0.495070  1
  P  P81  1  0.776048  0.539635  0.516418  1
  P  P82  1  0.238708  0.996353  0.479406  1
  P  P83  1  0.245626  0.319565  0.502057  1
  P  P84  1  0.232308  0.644222  0.523899  1
  P  P85  1  0.730395  0.039635  0.516418  1
  P  P86  1  0.745974  0.396541  0.472427  1
  P  P87  1  0.738993  0.719829  0.495070  1
  P  P88  1  0.260817  0.819565  0.502057  1
  P  P89  1  0.274135  0.144222  0.523899  1
  P  P90  1  0.267735  0.496353  0.479406  1
  P  P91  1  0.775021  0.861308  0.539425  1
  P  P92  1  0.774217  0.183842  0.562222  1
  P  P93  1  0.764633  0.509016  0.584012  1
  P  P94  1  0.229259  0.966885  0.546679  1
  P  P95  1  0.231149  0.288716  0.569483  1
  P  P96  1  0.241918  0.608504  0.590871  1
  P  P97  1  0.741810  0.009016  0.584012  1
  P  P98  1  0.731421  0.361308  0.539425  1
  P  P99  1  0.732226  0.683842  0.562222  1
  P  P100  1  0.275294  0.788716  0.569483  1
  P  P101  1  0.264525  0.108504  0.590871  1
  P  P102  1  0.277184  0.466885  0.546679  1
  P  P103  1  0.768506  0.831654  0.606685  1
  P  P104  1  0.771101  0.152711  0.628553  1
  P  P105  1  0.780815  0.475214  0.650783  1
  P  P106  1  0.239705  0.932588  0.613520  1
  P  P107  1  0.232798  0.256018  0.634947  1
  P  P108  1  0.239981  0.579015  0.658291  1
  P  P109  1  0.725628  0.975214  0.650783  1
  P  P110  1  0.737937  0.331654  0.606685  1
  P  P111  1  0.735342  0.652711  0.628553  1
  P  P112  1  0.273645  0.756018  0.634947  1
  P  P113  1  0.266462  0.079015  0.658291  1
  P  P114  1  0.266738  0.432588  0.613520  1
  P  P115  1  0.776911  0.794567  0.673595  1
  P  P116  1  0.746983  0.120643  0.696817  1
  P  P117  1  0.774373  0.439391  0.718402  1
  P  P118  1  0.223154  0.901403  0.680978  1
  P  P119  1  0.235684  0.222540  0.703119  1
  P  P120  1  0.267755  0.541460  0.724415  1
  P  P121  1  0.732070  0.939391  0.718402  1
  P  P122  1  0.729532  0.294567  0.673595  1
  P  P123  1  0.759460  0.620643  0.696817  1
  P  P124  1  0.270759  0.722540  0.703119  1
  P  P125  1  0.238688  0.041460  0.724415  1
  P  P126  1  0.283289  0.401403  0.680978  1
