[CIF]
data_Fe3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47068589
_cell_length_b   3.42416148
_cell_length_c   4.52982228
_cell_angle_alpha   90.00000000
_cell_angle_beta   102.90269277
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3B
_chemical_formula_sum   'Fe3 B1'
_cell_volume   37.35480661
_cell_formula_units_Z   1
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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.78174033  1.71208074  3.40741987  1
  Fe  Fe2  1  -0.50574543  0.00000000  2.20772372  1
  Fe  Fe3  1  0.67745469  1.71208074  1.00802758  1
[/CIF]
