# generated using pymatgen
data_Fe3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58154464
_cell_length_b   8.58154464
_cell_length_c   4.24553370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3B
_chemical_formula_sum   'Fe24 B8'
_cell_volume   312.65344941
_cell_formula_units_Z   8
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  Fe0  1  0.91652100  0.89238900  0.25144100  1
  Fe  Fe1  1  0.08347900  0.10761100  0.25144100  1
  Fe  Fe2  1  0.60761100  0.41652100  0.24855900  1
  Fe  Fe3  1  0.39238900  0.58347900  0.24855900  1
  Fe  Fe4  1  0.13806800  0.47128400  0.48447400  1
  Fe  Fe5  1  0.86193200  0.52871600  0.48447400  1
  Fe  Fe6  1  0.02871600  0.63806800  0.01552600  1
  Fe  Fe7  1  0.97128400  0.36193200  0.01552600  1
  Fe  Fe8  1  0.82537700  0.78206600  0.74372700  1
  Fe  Fe9  1  0.17462300  0.21793400  0.74372700  1
  Fe  Fe10  1  0.71793400  0.32537700  0.75627300  1
  Fe  Fe11  1  0.28206600  0.67462300  0.75627300  1
  Fe  Fe12  1  0.41652100  0.39238900  0.75144100  1
  Fe  Fe13  1  0.58347900  0.60761100  0.75144100  1
  Fe  Fe14  1  0.10761100  0.91652100  0.74855900  1
  Fe  Fe15  1  0.89238900  0.08347900  0.74855900  1
  Fe  Fe16  1  0.63806800  0.97128400  0.98447400  1
  Fe  Fe17  1  0.36193200  0.02871600  0.98447400  1
  Fe  Fe18  1  0.52871600  0.13806800  0.51552600  1
  Fe  Fe19  1  0.47128400  0.86193200  0.51552600  1
  Fe  Fe20  1  0.32537700  0.28206600  0.24372700  1
  Fe  Fe21  1  0.67462300  0.71793400  0.24372700  1
  Fe  Fe22  1  0.21793400  0.82537700  0.25627300  1
  Fe  Fe23  1  0.78206600  0.17462300  0.25627300  1
  B  B24  1  0.20612300  0.45650400  0.98610800  1
  B  B25  1  0.79387700  0.54349600  0.98610800  1
  B  B26  1  0.04349600  0.70612300  0.51389200  1
  B  B27  1  0.95650400  0.29387700  0.51389200  1
  B  B28  1  0.70612300  0.95650400  0.48610800  1
  B  B29  1  0.29387700  0.04349600  0.48610800  1
  B  B30  1  0.54349600  0.20612300  0.01389200  1
  B  B31  1  0.45650400  0.79387700  0.01389200  1
