# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17041135
_cell_length_b   8.69670814
_cell_length_c   46.59661154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.62239502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe60 P30'
_cell_volume   2340.2538995
_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  0.530414  0.884267  0.318346  1
  Fe  Fe2  1  0.094994  0.723664  0.284621  1
  Fe  Fe3  1  0.360287  0.338072  0.307988  1
  Fe  Fe4  1  0.697466  0.620149  0.315039  1
  Fe  Fe5  1  0.959911  0.145835  0.317055  1
  Fe  Fe6  1  0.283329  0.029816  0.294368  1
  Fe  Fe7  1  0.409069  0.588549  0.355113  1
  Fe  Fe8  1  0.954551  0.441669  0.324620  1
  Fe  Fe9  1  0.241666  0.046270  0.347348  1
  Fe  Fe10  1  0.552670  0.343140  0.356590  1
  Fe  Fe11  1  0.811166  0.860611  0.357984  1
  Fe  Fe12  1  0.136746  0.746829  0.336802  1
  Fe  Fe13  1  0.281677  0.327454  0.404833  1
  Fe  Fe14  1  0.754207  0.137525  0.365976  1
  Fe  Fe15  1  0.072767  0.776800  0.394006  1
  Fe  Fe16  1  0.406927  0.058744  0.400451  1
  Fe  Fe17  1  0.663791  0.570802  0.403887  1
  Fe  Fe18  1  0.003776  0.458993  0.380134  1
  Fe  Fe19  1  0.126442  0.017977  0.442921  1
  Fe  Fe20  1  0.662377  0.867938  0.412566  1
  Fe  Fe21  1  0.968545  0.477994  0.434791  1
  Fe  Fe22  1  0.264637  0.772956  0.444046  1
  Fe  Fe23  1  0.522101  0.286727  0.446700  1
  Fe  Fe24  1  0.862054  0.173040  0.423733  1
  Fe  Fe25  1  0.995952  0.756862  0.491346  1
  Fe  Fe26  1  0.470836  0.569245  0.453461  1
  Fe  Fe27  1  0.787948  0.204754  0.480865  1
  Fe  Fe28  1  0.122038  0.487890  0.487505  1
  Fe  Fe29  1  0.379262  1.001276  0.490256  1
  Fe  Fe30  1  0.719624  0.887354  0.467202  1
  Fe  Fe31  1  0.841092  0.446613  0.529853  1
  Fe  Fe32  1  0.377324  0.295989  0.499450  1
  Fe  Fe33  1  0.682975  0.907310  0.521842  1
  Fe  Fe34  1  0.979555  0.201976  0.531112  1
  Fe  Fe35  1  0.236548  0.715706  0.533691  1
  Fe  Fe36  1  0.577304  0.601766  0.510669  1
  Fe  Fe37  1  0.711334  0.186007  0.578494  1
  Fe  Fe38  1  0.185280  0.998353  0.540458  1
  Fe  Fe39  1  0.503380  0.634164  0.567762  1
  Fe  Fe40  1  0.836801  0.917041  0.574528  1
  Fe  Fe41  1  0.094020  0.430310  0.577117  1
  Fe  Fe42  1  0.434340  0.316285  0.554116  1
  Fe  Fe43  1  0.554065  0.876190  0.617482  1
  Fe  Fe44  1  0.092445  0.725208  0.586294  1
  Fe  Fe45  1  0.398076  0.336336  0.608421  1
  Fe  Fe46  1  0.694352  0.632694  0.617332  1
  Fe  Fe47  1  0.947880  0.143376  0.621039  1
  Fe  Fe48  1  0.292339  0.029642  0.597802  1
  Fe  Fe49  1  0.415491  0.608983  0.664928  1
  Fe  Fe50  1  0.900463  0.428263  0.627437  1
  Fe  Fe51  1  0.217495  0.063061  0.656208  1
  Fe  Fe52  1  0.559068  0.341000  0.662746  1
  Fe  Fe53  1  0.814763  0.862729  0.664544  1
  Fe  Fe54  1  0.150610  0.748540  0.641127  1
  Fe  Fe55  1  0.278875  0.316337  0.701491  1
  Fe  Fe56  1  0.812321  0.164048  0.672850  1
  Fe  Fe57  1  0.104243  0.771016  0.694774  1
  Fe  Fe58  1  0.405836  0.065393  0.703768  1
  Fe  Fe59  1  0.654707  0.576661  0.706309  1
  Fe  Fe60  1  0.015578  0.469987  0.685222  1
  P  P61  1  0.328199  0.605510  0.303578  1
  P  P62  1  0.755159  0.472062  0.278080  1
  P  P63  1  0.914670  0.887777  0.307807  1
  P  P64  1  0.168939  0.316157  0.352968  1
  P  P65  1  0.607536  0.177488  0.320648  1
  P  P66  1  0.810140  0.604224  0.359321  1
  P  P67  1  0.026384  0.034819  0.393945  1
  P  P68  1  0.450117  0.880760  0.366516  1
  P  P69  1  0.667500  0.314061  0.401556  1
  P  P70  1  0.880632  0.739726  0.438906  1
  P  P71  1  0.315447  0.606682  0.408200  1
  P  P72  1  0.525347  0.029775  0.445350  1
  P  P73  1  0.742876  0.463819  0.480916  1
  P  P74  1  0.165729  0.310599  0.453511  1
  P  P75  1  0.382995  0.744374  0.488872  1
  P  P76  1  0.595154  0.168331  0.525993  1
  P  P77  1  0.028784  0.035268  0.495367  1
  P  P78  1  0.240191  0.458633  0.532289  1
  P  P79  1  0.457642  0.893054  0.567873  1
  P  P80  1  0.881234  0.739583  0.540316  1
  P  P81  1  0.098056  0.173399  0.576059  1
  P  P82  1  0.310669  0.597598  0.612894  1
  P  P83  1  0.744208  0.463780  0.582352  1
  P  P84  1  0.954590  0.888681  0.619326  1
  P  P85  1  0.172566  0.319347  0.653964  1
  P  P86  1  0.592061  0.167402  0.627426  1
  P  P87  1  0.806968  0.599662  0.661951  1
  P  P88  1  0.008719  0.026028  0.703876  1
  P  P89  1  0.462791  0.887542  0.671092  1
  P  P90  1  0.681034  0.307092  0.711960  1
