# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91754635
_cell_length_b   2.91749025
_cell_length_c   7.93961078
_cell_angle_alpha   100.58915965
_cell_angle_beta   100.58983140
_cell_angle_gamma   90.00361502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB
_chemical_formula_sum   'Fe4 B4'
_cell_volume   65.25888518
_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  0.67611158  0.92586124  0.35264088  1.0
  Fe  Fe1  1  0.92588462  0.67614162  0.85269132  1.0
  Fe  Fe2  1  0.32393365  0.07418268  0.64744933  1.0
  Fe  Fe3  1  0.07406549  0.32380714  0.14721574  1.0
  B  B4  1  0.21721882  0.46724042  0.43451195  1.0
  B  B5  1  0.46725543  0.21723592  0.93453718  1.0
  B  B6  1  0.78277430  0.53275224  0.56547539  1.0
  B  B7  1  0.53275612  0.78277672  0.06547922  1.0