# generated using pymatgen
data_FeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52211191
_cell_length_b   5.29848698
_cell_length_c   3.00729754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB4
_chemical_formula_sum   'Fe2 B8'
_cell_volume   72.05590485
_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  0.00000000  0.50000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1
  B  B2  1  0.50000000  0.16055800  0.87390900  1
  B  B3  1  0.50000000  0.83944200  0.12609100  1
  B  B4  1  0.00000000  0.66055800  0.62609100  1
  B  B5  1  0.00000000  0.33944200  0.37390900  1
  B  B6  1  0.50000000  0.75119300  0.81322500  1
  B  B7  1  0.50000000  0.24880700  0.18677500  1
  B  B8  1  0.00000000  0.25119300  0.68677500  1
  B  B9  1  0.00000000  0.74880700  0.31322500  1
