# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51558180
_cell_length_b   12.24682345
_cell_length_c   49.44811580
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.72002811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe32 P64'
_cell_volume   3913.91404554
_cell_formula_units_Z   32
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  0.866318  0.734320  0.281310  1
  Fe  Fe2  1  0.752101  0.229347  0.307132  1
  Fe  Fe3  1  0.292238  0.983982  0.295142  1
  Fe  Fe4  1  0.192186  0.453355  0.316970  1
  Fe  Fe5  1  0.644901  0.688764  0.329868  1
  Fe  Fe6  1  0.538417  0.173879  0.353592  1
  Fe  Fe7  1  0.087293  0.939055  0.344413  1
  Fe  Fe8  1  0.985291  0.410899  0.368817  1
  Fe  Fe9  1  0.430121  0.642545  0.381919  1
  Fe  Fe10  1  0.287253  0.112159  0.415659  1
  Fe  Fe11  1  0.870747  0.883285  0.395638  1
  Fe  Fe12  1  0.727960  0.346365  0.429066  1
  Fe  Fe13  1  0.160971  0.588930  0.444287  1
  Fe  Fe14  1  0.075259  0.064730  0.466198  1
  Fe  Fe15  1  0.606493  0.823175  0.458046  1
  Fe  Fe16  1  0.514732  0.301342  0.479584  1
  Fe  Fe17  1  0.948177  0.533792  0.496380  1
  Fe  Fe18  1  0.818330  0.009193  0.526835  1
  Fe  Fe19  1  0.389337  0.773005  0.510390  1
  Fe  Fe20  1  0.262608  0.244184  0.541139  1
  Fe  Fe21  1  0.729185  0.486811  0.548462  1
  Fe  Fe22  1  0.613196  0.955737  0.577434  1
  Fe  Fe23  1  0.170622  0.726247  0.563015  1
  Fe  Fe24  1  0.049390  0.194918  0.591373  1
  Fe  Fe25  1  0.466747  0.425451  0.610552  1
  Fe  Fe26  1  0.352992  0.902672  0.639015  1
  Fe  Fe27  1  0.908800  0.660007  0.624135  1
  Fe  Fe28  1  0.800251  0.135722  0.652027  1
  Fe  Fe29  1  0.252979  0.382219  0.661679  1
  Fe  Fe30  1  0.139554  0.840992  0.685291  1
  Fe  Fe31  1  0.698635  0.617338  0.675704  1
  Fe  Fe32  1  0.597057  0.088387  0.698839  1
  P  P33  1  0.435308  0.868905  0.326038  1
  P  P34  1  0.536597  0.398588  0.295327  1
  P  P35  1  0.959803  0.043962  0.302705  1
  P  P36  1  0.090958  0.572801  0.276957  1
  P  P37  1  0.453772  0.134887  0.307522  1
  P  P38  1  0.561643  0.669838  0.281158  1
  P  P39  1  0.955351  0.782350  0.321931  1
  P  P40  1  0.054312  0.307665  0.291732  1
  P  P41  1  0.205873  0.816169  0.381378  1
  P  P42  1  0.320870  0.344302  0.353405  1
  P  P43  1  0.746213  0.997962  0.360296  1
  P  P44  1  0.856672  0.517638  0.332827  1
  P  P45  1  0.237934  0.083452  0.366480  1
  P  P46  1  0.340645  0.606352  0.336998  1
  P  P47  1  0.724784  0.730097  0.376505  1
  P  P48  1  0.845966  0.254717  0.349726  1
  P  P49  1  0.952571  0.764752  0.436785  1
  P  P50  1  0.073485  0.290513  0.408991  1
  P  P51  1  0.522474  0.940157  0.417119  1
  P  P52  1  0.640419  0.467165  0.389160  1
  P  P53  1  0.988941  0.027961  0.420922  1
  P  P54  1  0.119438  0.555723  0.394004  1
  P  P55  1  0.473886  0.676924  0.431899  1
  P  P56  1  0.592066  0.203409  0.403716  1
  P  P57  1  0.729102  0.709354  0.493175  1
  P  P58  1  0.852885  0.235385  0.465484  1
  P  P59  1  0.274797  0.889030  0.472278  1
  P  P60  1  0.388625  0.416876  0.443905  1
  P  P61  1  0.764078  0.975653  0.477698  1
  P  P62  1  0.870429  0.501187  0.449215  1
  P  P63  1  0.249129  0.624036  0.488355  1
  P  P64  1  0.372037  0.149983  0.460564  1
  P  P65  1  0.503900  0.656852  0.548346  1
  P  P66  1  0.605218  0.184788  0.520533  1
  P  P67  1  0.046154  0.837537  0.527400  1
  P  P68  1  0.172552  0.360561  0.500668  1
  P  P69  1  0.522041  0.923279  0.532504  1
  P  P70  1  0.642667  0.447372  0.504344  1
  P  P71  1  0.025555  0.571205  0.543536  1
  P  P72  1  0.126470  0.097753  0.515627  1
  P  P73  1  0.254389  0.604075  0.603634  1
  P  P74  1  0.386414  0.128746  0.577235  1
  P  P75  1  0.823199  0.780384  0.583703  1
  P  P76  1  0.925242  0.310617  0.555555  1
  P  P77  1  0.304055  0.868443  0.589063  1
  P  P78  1  0.417311  0.395244  0.561552  1
  P  P79  1  0.774084  0.516896  0.598552  1
  P  P80  1  0.906594  0.043737  0.572288  1
  P  P81  1  0.034564  0.550725  0.660008  1
  P  P82  1  0.136918  0.077023  0.632242  1
  P  P83  1  0.573184  0.728492  0.639228  1
  P  P84  1  0.703109  0.253932  0.612646  1
  P  P85  1  0.049332  0.815536  0.642793  1
  P  P86  1  0.167991  0.340727  0.616655  1
  P  P87  1  0.555265  0.463440  0.655134  1
  P  P88  1  0.657642  0.989241  0.627117  1
  P  P89  1  0.785904  0.501253  0.714576  1
  P  P90  1  0.927759  0.021455  0.690674  1
  P  P91  1  0.354442  0.673532  0.696799  1
  P  P92  1  0.453207  0.201718  0.667274  1
  P  P93  1  0.836439  0.762206  0.700830  1
  P  P94  1  0.945786  0.288304  0.674170  1
  P  P95  1  0.311467  0.404106  0.709345  1
  P  P96  1  0.434514  0.936843  0.685458  1
