# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19006734
_cell_length_b   20.78378166
_cell_length_c   53.78616235
_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   'Fe30 P60'
_cell_volume   3566.11200809
_cell_formula_units_Z   30
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  1.001188  0.505742  0.279670  1
  Fe  Fe2  1  1.001188  0.878552  0.309092  1
  Fe  Fe3  1  1.001188  0.273685  0.335681  1
  Fe  Fe4  1  0.501188  0.697629  0.294871  1
  Fe  Fe5  1  0.501188  0.077244  0.319453  1
  Fe  Fe6  1  0.501188  0.468927  0.350177  1
  Fe  Fe7  1  1.001188  0.661482  0.367104  1
  Fe  Fe8  1  1.001188  0.048971  0.395790  1
  Fe  Fe9  1  1.001188  0.436877  0.426222  1
  Fe  Fe10  1  0.501188  0.854504  0.382356  1
  Fe  Fe11  1  0.501188  0.243015  0.410984  1
  Fe  Fe12  1  0.501188  0.630214  0.442357  1
  Fe  Fe13  1  1.001188  0.824252  0.457574  1
  Fe  Fe14  1  1.001188  0.213198  0.486840  1
  Fe  Fe15  1  1.001188  0.600082  0.518419  1
  Fe  Fe16  1  0.501188  0.018711  0.471807  1
  Fe  Fe17  1  0.501188  0.406623  0.502741  1
  Fe  Fe18  1  0.501188  0.794410  0.533515  1
  Fe  Fe19  1  1.001188  0.988678  0.547702  1
  Fe  Fe20  1  1.001188  0.376280  0.579317  1
  Fe  Fe21  1  1.001188  0.764335  0.609632  1
  Fe  Fe22  1  0.501188  0.182872  0.562637  1
  Fe  Fe23  1  0.501188  0.570292  0.594349  1
  Fe  Fe24  1  0.501188  0.958597  0.623025  1
  Fe  Fe25  1  1.001188  0.151379  0.637714  1
  Fe  Fe26  1  1.001188  0.539673  0.669618  1
  Fe  Fe27  1  1.001188  0.935550  0.696553  1
  Fe  Fe28  1  0.501188  0.345356  0.656388  1
  Fe  Fe29  1  0.501188  0.736110  0.685962  1
  Fe  Fe30  1  0.501188  0.120799  0.709835  1
  P  P31  1  1.001188  0.781556  0.287032  1
  P  P32  1  1.001188  0.165294  0.317803  1
  P  P33  1  1.001188  0.556058  0.348221  1
  P  P34  1  1.001188  0.610988  0.290035  1
  P  P35  1  1.001188  0.987474  0.321228  1
  P  P36  1  1.001188  0.380954  0.351959  1
  P  P37  1  0.501188  0.848072  0.337946  1
  P  P38  1  0.501188  0.068900  0.276503  1
  P  P39  1  0.501188  0.463687  0.305474  1
  P  P40  1  0.501188  0.697130  0.336476  1
  P  P41  1  0.501188  0.081430  0.364221  1
  P  P42  1  0.501188  0.305359  0.304361  1
  P  P43  1  1.001188  0.941232  0.379527  1
  P  P44  1  1.001188  0.329826  0.409235  1
  P  P45  1  1.001188  0.716730  0.440999  1
  P  P46  1  1.001188  0.767612  0.384710  1
  P  P47  1  1.001188  0.155913  0.412505  1
  P  P48  1  1.001188  0.543321  0.443839  1
  P  P49  1  0.501188  0.015015  0.427023  1
  P  P50  1  0.501188  0.238434  0.366084  1
  P  P51  1  0.501188  0.625878  0.397509  1
  P  P52  1  0.501188  0.859220  0.426840  1
  P  P53  1  0.501188  0.246872  0.455826  1
  P  P54  1  0.501188  0.471285  0.395126  1
  P  P55  1  1.001188  0.105712  0.470077  1
  P  P56  1  1.001188  0.493061  0.501311  1
  P  P57  1  1.001188  0.880894  0.531197  1
  P  P58  1  1.001188  0.932126  0.474081  1
  P  P59  1  1.001188  0.320162  0.504078  1
  P  P60  1  1.001188  0.707459  0.535222  1
  P  P61  1  0.501188  0.179302  0.517910  1
  P  P62  1  0.501188  0.402767  0.457552  1
  P  P63  1  0.501188  0.790246  0.488564  1
  P  P64  1  0.501188  0.022791  0.516703  1
  P  P65  1  0.501188  0.410490  0.547909  1
  P  P66  1  0.501188  0.633910  0.487308  1
  P  P67  1  1.001188  0.270080  0.561515  1
  P  P68  1  1.001188  0.657426  0.592864  1
  P  P69  1  1.001188  0.045253  0.620446  1
  P  P70  1  1.001188  0.096243  0.564156  1
  P  P71  1  1.001188  0.483518  0.596143  1
  P  P72  1  1.001188  0.872061  0.625908  1
  P  P73  1  0.501188  0.342188  0.610537  1
  P  P74  1  0.501188  0.566440  0.549505  1
  P  P75  1  0.501188  0.953733  0.578446  1
  P  P76  1  0.501188  0.187004  0.607385  1
  P  P77  1  0.501188  0.575001  0.639261  1
  P  P78  1  0.501188  0.798147  0.578342  1
  P  P79  1  1.001188  0.432436  0.653386  1
  P  P80  1  1.001188  0.826186  0.684223  1
  P  P81  1  1.001188  0.204350  0.714675  1
  P  P82  1  1.001188  0.256913  0.656404  1
  P  P83  1  1.001188  0.647793  0.687652  1
  P  P84  1  1.001188  0.035318  0.717672  1
  P  P85  1  0.501188  0.506901  0.700736  1
  P  P86  1  0.501188  0.731924  0.641233  1
  P  P87  1  0.501188  0.116845  0.668366  1
  P  P88  1  0.501188  0.347080  0.699235  1
  P  P89  1  0.501188  0.744489  0.728869  1
  P  P90  1  0.501188  0.965742  0.667506  1
