# generated using pymatgen
data_Fe6SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55386600
_cell_length_b   6.89790600
_cell_length_c   5.58787800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6SiB
_chemical_formula_sum   'Fe12 Si2 B2'
_cell_volume   175.52720383
_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  0.12889500  0.75000000  0.47298200  1.0
  Fe  Fe1  1  0.37110500  0.75000000  0.97298200  1.0
  Fe  Fe2  1  0.89941200  0.25000000  0.50422100  1.0
  Fe  Fe3  1  0.60058800  0.25000000  0.00422100  1.0
  Fe  Fe4  1  0.64470300  0.93090500  0.32369500  1.0
  Fe  Fe5  1  0.85529700  0.56909500  0.82369500  1.0
  Fe  Fe6  1  0.37066300  0.46795200  0.68555300  1.0
  Fe  Fe7  1  0.12933700  0.03204800  0.18555300  1.0
  Fe  Fe8  1  0.37066300  0.03204800  0.68555300  1.0
  Fe  Fe9  1  0.12933700  0.46795200  0.18555300  1.0
  Fe  Fe10  1  0.64470300  0.56909500  0.32369500  1.0
  Fe  Fe11  1  0.85529700  0.93090500  0.82369500  1.0
  Si  Si12  1  0.08137100  0.25000000  0.88686000  1.0
  Si  Si13  1  0.41862900  0.25000000  0.38686000  1.0
  B  B14  1  0.92319300  0.75000000  0.11744100  1.0
  B  B15  1  0.57680700  0.75000000  0.61744100  1.0