# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90014000
_cell_length_b   6.69292400
_cell_length_c   6.69292400
_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   'Fe8 B8'
_cell_volume   174.70767484
_cell_formula_units_Z   8
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  0.86931100  0.62086200  0.62086200  1.0
  Fe  Fe1  1  0.36931100  0.62086200  0.87913800  1.0
  Fe  Fe2  1  0.36931100  0.87913800  0.62086200  1.0
  Fe  Fe3  1  0.86931100  0.87913800  0.87913800  1.0
  Fe  Fe4  1  0.13068900  0.37913800  0.37913800  1.0
  Fe  Fe5  1  0.63068900  0.37913800  0.12086200  1.0
  Fe  Fe6  1  0.63068900  0.12086200  0.37913800  1.0
  Fe  Fe7  1  0.13068900  0.12086200  0.12086200  1.0
  B  B8  1  0.36564300  0.57168400  0.57168400  1.0
  B  B9  1  0.86564300  0.57168400  0.92831600  1.0
  B  B10  1  0.86564300  0.92831600  0.57168400  1.0
  B  B11  1  0.36564300  0.92831600  0.92831600  1.0
  B  B12  1  0.63435700  0.42831600  0.42831600  1.0
  B  B13  1  0.13435700  0.42831600  0.07168400  1.0
  B  B14  1  0.13435700  0.07168400  0.42831600  1.0
  B  B15  1  0.63435700  0.07168400  0.07168400  1.0