# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40128502
_cell_length_b   2.95173027
_cell_length_c   3.99847010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB
_chemical_formula_sum   'Fe4 B4'
_cell_volume   63.74815456
_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  0.25000000  0.37887200  0.67815200  1
  Fe  Fe1  1  0.25000000  0.12112800  0.17815200  1
  Fe  Fe2  1  0.75000000  0.62112800  0.32184800  1
  Fe  Fe3  1  0.75000000  0.87887200  0.82184800  1
  B  B4  1  0.25000000  0.88107500  0.53429000  1
  B  B5  1  0.25000000  0.61892500  0.03429000  1
  B  B6  1  0.75000000  0.38107500  0.96571000  1
  B  B7  1  0.75000000  0.11892500  0.46571000  1
