# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90490244
_cell_length_b   2.92077102
_cell_length_c   4.06055185
_cell_angle_alpha   90.00000000
_cell_angle_beta   69.04112763
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB
_chemical_formula_sum   'Fe2 B2'
_cell_volume   32.17254362
_cell_formula_units_Z   2
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  0.14576987  0.75000000  0.70846027  1.0
  Fe  Fe1  1  0.85423013  0.25000000  0.29153973  1.0
  B  B2  1  0.43339027  0.75000000  0.13321946  1.0
  B  B3  1  0.56660973  0.25000000  0.86678054  1.0