# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51837988
_cell_length_b   13.19409688
_cell_length_c   48.10035374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.65827603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe40 P80'
_cell_volume   5179.22445678
_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  0.630728  0.039986  0.342113  1
  Fe  Fe2  1  0.918985  0.095141  0.305230  1
  Fe  Fe3  1  0.130728  0.539986  0.342113  1
  Fe  Fe4  1  0.418985  0.595141  0.305230  1
  Fe  Fe5  1  0.374147  0.292147  0.339094  1
  Fe  Fe6  1  0.648257  0.354623  0.302959  1
  Fe  Fe7  1  0.874147  0.792147  0.339094  1
  Fe  Fe8  1  0.148257  0.854623  0.302959  1
  Fe  Fe9  1  0.989651  0.929198  0.424234  1
  Fe  Fe10  1  0.335761  0.983966  0.377527  1
  Fe  Fe11  1  0.489651  0.429198  0.424234  1
  Fe  Fe12  1  0.835761  0.483966  0.377527  1
  Fe  Fe13  1  0.742586  0.175325  0.425229  1
  Fe  Fe14  1  0.090225  0.241379  0.378513  1
  Fe  Fe15  1  0.242586  0.675325  0.425229  1
  Fe  Fe16  1  0.590225  0.741379  0.378513  1
  Fe  Fe17  1  0.414980  0.814489  0.504088  1
  Fe  Fe18  1  0.703160  0.872400  0.464143  1
  Fe  Fe19  1  0.914980  0.314489  0.504088  1
  Fe  Fe20  1  0.203160  0.372400  0.464143  1
  Fe  Fe21  1  0.164043  0.066631  0.503797  1
  Fe  Fe22  1  0.452480  0.121518  0.464472  1
  Fe  Fe23  1  0.664043  0.566631  0.503797  1
  Fe  Fe24  1  0.952480  0.621518  0.464472  1
  Fe  Fe25  1  0.791184  0.701493  0.589542  1
  Fe  Fe26  1  0.066116  0.756402  0.550759  1
  Fe  Fe27  1  0.291184  0.201493  0.589542  1
  Fe  Fe28  1  0.566116  0.256402  0.550759  1
  Fe  Fe29  1  0.532794  0.949240  0.587060  1
  Fe  Fe30  1  0.823287  0.006404  0.550899  1
  Fe  Fe31  1  0.032794  0.449240  0.587060  1
  Fe  Fe32  1  0.323287  0.506404  0.550899  1
  Fe  Fe33  1  0.164508  0.585619  0.668852  1
  Fe  Fe34  1  0.445843  0.644521  0.634692  1
  Fe  Fe35  1  0.664508  0.085619  0.668852  1
  Fe  Fe36  1  0.945843  0.144521  0.634692  1
  Fe  Fe37  1  0.909409  0.841178  0.673615  1
  Fe  Fe38  1  0.200464  0.895801  0.636801  1
  Fe  Fe39  1  0.409409  0.341178  0.673615  1
  Fe  Fe40  1  0.700464  0.395801  0.636801  1
  P  P41  1  0.611525  0.218319  0.331999  1
  P  P42  1  0.304042  0.160715  0.374663  1
  P  P43  1  0.111525  0.718319  0.331999  1
  P  P44  1  0.804042  0.660715  0.374663  1
  P  P45  1  0.442444  0.424542  0.299844  1
  P  P46  1  0.137661  0.358646  0.341789  1
  P  P47  1  0.942444  0.924542  0.299844  1
  P  P48  1  0.637661  0.858646  0.341789  1
  P  P49  1  0.538294  0.414593  0.373303  1
  P  P50  1  0.847644  0.475118  0.327643  1
  P  P51  1  0.038294  0.914593  0.373303  1
  P  P52  1  0.347644  0.975118  0.327643  1
  P  P53  1  0.215754  0.167125  0.303823  1
  P  P54  1  0.918574  0.102181  0.350785  1
  P  P55  1  0.715754  0.667125  0.303823  1
  P  P56  1  0.418574  0.602181  0.350785  1
  P  P57  1  0.990185  0.110540  0.417793  1
  P  P58  1  0.679807  0.049648  0.460006  1
  P  P59  1  0.490185  0.610540  0.417793  1
  P  P60  1  0.179807  0.549648  0.460006  1
  P  P61  1  0.840987  0.303685  0.386012  1
  P  P62  1  0.529274  0.253283  0.428249  1
  P  P63  1  0.340987  0.803685  0.386012  1
  P  P64  1  0.029274  0.753283  0.428249  1
  P  P65  1  0.914346  0.304568  0.455626  1
  P  P66  1  0.219232  0.361272  0.413418  1
  P  P67  1  0.414346  0.804568  0.455626  1
  P  P68  1  0.719232  0.861272  0.413418  1
  P  P69  1  0.607957  0.053755  0.389920  1
  P  P70  1  0.293317  0.996852  0.429539  1
  P  P71  1  0.107957  0.553755  0.389920  1
  P  P72  1  0.793317  0.496852  0.429539  1
  P  P73  1  0.374381  0.989647  0.500779  1
  P  P74  1  0.062498  0.938005  0.543213  1
  P  P75  1  0.874381  0.489647  0.500779  1
  P  P76  1  0.562498  0.438005  0.543213  1
  P  P77  1  0.227849  0.195645  0.469528  1
  P  P78  1  0.920782  0.135064  0.512364  1
  P  P79  1  0.727849  0.695645  0.469528  1
  P  P80  1  0.420782  0.635064  0.512364  1
  P  P81  1  0.292107  0.187930  0.540028  1
  P  P82  1  0.610754  0.246681  0.499314  1
  P  P83  1  0.792107  0.687930  0.540028  1
  P  P84  1  0.110754  0.746681  0.499314  1
  P  P85  1  0.992194  0.940467  0.473144  1
  P  P86  1  0.688420  0.884629  0.514768  1
  P  P87  1  0.492194  0.440467  0.473144  1
  P  P88  1  0.188420  0.384629  0.514768  1
  P  P89  1  0.752027  0.876005  0.585824  1
  P  P90  1  0.437433  0.824715  0.626816  1
  P  P91  1  0.252027  0.376005  0.585824  1
  P  P92  1  0.937433  0.324715  0.626816  1
  P  P93  1  0.603545  0.082021  0.553183  1
  P  P94  1  0.294850  0.020661  0.596711  1
  P  P95  1  0.103545  0.582021  0.553183  1
  P  P96  1  0.794850  0.520661  0.596711  1
  P  P97  1  0.666656  0.073593  0.622769  1
  P  P98  1  0.988627  0.133160  0.583616  1
  P  P99  1  0.166656  0.573593  0.622769  1
  P  P100  1  0.488627  0.633160  0.583616  1
  P  P101  1  0.367681  0.824083  0.555473  1
  P  P102  1  0.066054  0.772605  0.600224  1
  P  P103  1  0.867681  0.324083  0.555473  1
  P  P104  1  0.566054  0.272605  0.600224  1
  P  P105  1  0.133563  0.763921  0.671531  1
  P  P106  1  0.804792  0.712468  0.710075  1
  P  P107  1  0.633563  0.263921  0.671531  1
  P  P108  1  0.304792  0.212468  0.710075  1
  P  P109  1  0.982137  0.969189  0.638523  1
  P  P110  1  0.666868  0.907837  0.680997  1
  P  P111  1  0.482137  0.469189  0.638523  1
  P  P112  1  0.166868  0.407837  0.680997  1
  P  P113  1  0.044389  0.956104  0.709332  1
  P  P114  1  0.365865  0.021444  0.668311  1
  P  P115  1  0.544389  0.456104  0.709332  1
  P  P116  1  0.865865  0.521444  0.668311  1
  P  P117  1  0.745625  0.712707  0.640401  1
  P  P118  1  0.430293  0.654784  0.684112  1
  P  P119  1  0.245625  0.212707  0.640401  1
  P  P120  1  0.930293  0.154784  0.684112  1
