# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93164764
_cell_length_b   2.93164764
_cell_length_c   14.95824506
_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   128.55950303
_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  0.50000000  0.50000000  0.80401400  1
  Fe  Fe1  1  0.50000000  0.00000000  0.05401400  1
  Fe  Fe2  1  0.00000000  0.50000000  0.94598600  1
  Fe  Fe3  1  0.00000000  0.00000000  0.69598600  1
  Fe  Fe4  1  0.00000000  0.00000000  0.30401400  1
  Fe  Fe5  1  0.00000000  0.50000000  0.55401400  1
  Fe  Fe6  1  0.50000000  0.00000000  0.44598600  1
  Fe  Fe7  1  0.50000000  0.50000000  0.19598600  1
  B  B8  1  0.00000000  0.00000000  0.84009700  1
  B  B9  1  0.00000000  0.50000000  0.09009700  1
  B  B10  1  0.50000000  0.00000000  0.90990300  1
  B  B11  1  0.50000000  0.50000000  0.65990300  1
  B  B12  1  0.50000000  0.50000000  0.34009700  1
  B  B13  1  0.50000000  0.00000000  0.59009700  1
  B  B14  1  0.00000000  0.50000000  0.40990300  1
  B  B15  1  0.00000000  0.00000000  0.15990300  1
