# generated using pymatgen
data_Fe3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42865370
_cell_length_b   6.42865370
_cell_length_c   6.42865370
_cell_angle_alpha   96.25967120
_cell_angle_beta   96.25967120
_cell_angle_gamma   141.43768732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3B
_chemical_formula_sum   'Fe12 B4'
_cell_volume   156.32671244
_cell_formula_units_Z   4
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  0.14383100  0.16796300  0.80891100  1.0
  Fe  Fe1  1  0.35905200  0.33492000  0.19108900  1.0
  Fe  Fe2  1  0.66508000  0.85616900  0.02413200  1.0
  Fe  Fe3  1  0.83203700  0.64094800  0.97586800  1.0
  Fe  Fe4  1  0.95575900  0.62254300  0.60935300  1.0
  Fe  Fe5  1  0.01319000  0.34640600  0.39064700  1.0
  Fe  Fe6  1  0.65359400  0.04424100  0.66678400  1.0
  Fe  Fe7  1  0.37745700  0.98681000  0.33321600  1.0
  Fe  Fe8  1  0.52579300  0.56910400  0.60744300  1.0
  Fe  Fe9  1  0.96166100  0.91834900  0.39255700  1.0
  Fe  Fe10  1  0.08165100  0.47420700  0.04331100  1.0
  Fe  Fe11  1  0.43089600  0.03833900  0.95668900  1.0
  B  B12  1  0.44261200  0.19223100  0.66262600  1.0
  B  B13  1  0.52960400  0.77998500  0.33737400  1.0
  B  B14  1  0.22001500  0.55738800  0.74961900  1.0
  B  B15  1  0.80776900  0.47039600  0.25038100  1.0