# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89188448
_cell_length_b   7.50721170
_cell_length_c   2.95807721
_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   64.21982370
_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  0.50000000  0.64151400  0.75000000  1
  Fe  Fe1  1  0.00000000  0.85848600  0.25000000  1
  Fe  Fe2  1  0.00000000  0.14151400  0.75000000  1
  Fe  Fe3  1  0.50000000  0.35848600  0.25000000  1
  B  B4  1  0.50000000  0.93020500  0.75000000  1
  B  B5  1  0.00000000  0.56979500  0.25000000  1
  B  B6  1  0.00000000  0.43020500  0.75000000  1
  B  B7  1  0.50000000  0.06979500  0.25000000  1
