# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76637922
_cell_length_b   6.76428120
_cell_length_c   58.59839169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe12 P48'
_cell_volume   2682.03032313
_cell_formula_units_Z   12
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  1.003722  0.750776  0.394030  1
  Fe  Fe2  1  0.503722  0.250776  0.351346  1
  Fe  Fe3  1  0.503722  0.750776  0.310387  1
  Fe  Fe4  1  1.003722  0.250776  0.268443  1
  Fe  Fe5  1  1.003722  0.750776  0.560943  1
  Fe  Fe6  1  0.503722  0.250776  0.518083  1
  Fe  Fe7  1  0.503722  0.750776  0.477510  1
  Fe  Fe8  1  1.003722  0.250776  0.434649  1
  Fe  Fe9  1  1.003722  0.750776  0.727149  1
  Fe  Fe10  1  0.503722  0.250776  0.685206  1
  Fe  Fe11  1  0.503722  0.750776  0.644246  1
  Fe  Fe12  1  1.003722  0.250776  0.601562  1
  P  P13  1  0.503722  0.490906  0.288065  1
  P  P14  1  0.250336  0.750776  0.250943  1
  P  P15  1  0.503722  0.988356  0.373094  1
  P  P16  1  0.260536  0.250776  0.412301  1
  P  P17  1  0.503722  0.513196  0.373094  1
  P  P18  1  0.503722  0.010647  0.288065  1
  P  P19  1  0.746908  0.250776  0.412301  1
  P  P20  1  0.757109  0.750776  0.250943  1
  P  P21  1  1.003722  0.488716  0.372176  1
  P  P22  1  0.759385  0.750776  0.332955  1
  P  P23  1  1.003722  0.990375  0.290256  1
  P  P24  1  0.758730  0.250776  0.328844  1
  P  P25  1  1.003722  0.511177  0.290256  1
  P  P26  1  1.003722  0.012836  0.372176  1
  P  P27  1  0.248714  0.250776  0.328844  1
  P  P28  1  0.248059  0.750776  0.332955  1
  P  P29  1  0.503722  0.488631  0.455685  1
  P  P30  1  0.260483  0.750776  0.416414  1
  P  P31  1  0.503722  0.988631  0.539907  1
  P  P32  1  0.260483  0.250776  0.579179  1
  P  P33  1  0.503722  0.512921  0.539907  1
  P  P34  1  0.503722  0.012921  0.455685  1
  P  P35  1  0.746961  0.250776  0.579179  1
  P  P36  1  0.746961  0.750776  0.416414  1
  P  P37  1  1.003722  0.488618  0.539125  1
  P  P38  1  0.760682  0.750776  0.499849  1
  P  P39  1  1.003722  0.988618  0.456468  1
  P  P40  1  0.760682  0.250776  0.495743  1
  P  P41  1  1.003722  0.512935  0.456468  1
  P  P42  1  1.003722  0.012935  0.539125  1
  P  P43  1  0.246762  0.250776  0.495743  1
  P  P44  1  0.246762  0.750776  0.499849  1
  P  P45  1  0.503722  0.488356  0.622498  1
  P  P46  1  0.260536  0.750776  0.583292  1
  P  P47  1  0.503722  0.990906  0.707527  1
  P  P48  1  0.250336  0.250776  0.744649  1
  P  P49  1  0.503722  0.510647  0.707527  1
  P  P50  1  0.503722  0.013196  0.622498  1
  P  P51  1  0.757109  0.250776  0.744649  1
  P  P52  1  0.746908  0.750776  0.583292  1
  P  P53  1  1.003722  0.490375  0.705337  1
  P  P54  1  0.758730  0.750776  0.666748  1
  P  P55  1  1.003722  0.988716  0.623417  1
  P  P56  1  0.759385  0.250776  0.662638  1
  P  P57  1  1.003722  0.512836  0.623417  1
  P  P58  1  1.003722  0.011177  0.705337  1
  P  P59  1  0.248059  0.250776  0.662638  1
  P  P60  1  0.248714  0.750776  0.666748  1
