# generated using pymatgen
data_Fe3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99900000
_cell_length_b   7.04700000
_cell_length_c   5.34900000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3B
_chemical_formula_sum   'Fe12 B4'
_cell_volume   188.43432060
_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  0.76554000  0.05161000  0.59156000  1
  Fe  Fe1  1  0.23446000  0.94839000  0.40844000  1
  Fe  Fe2  1  0.73446000  0.94839000  0.09156000  1
  Fe  Fe3  1  0.26554000  0.05161000  0.90844000  1
  Fe  Fe4  1  0.23446000  0.55161000  0.40844000  1
  Fe  Fe5  1  0.76554000  0.44839000  0.59156000  1
  Fe  Fe6  1  0.26554000  0.44839000  0.90844000  1
  Fe  Fe7  1  0.73446000  0.55161000  0.09156000  1
  Fe  Fe8  1  0.47210000  0.25000000  0.29138000  1
  Fe  Fe9  1  0.52790000  0.75000000  0.70862000  1
  Fe  Fe10  1  0.02790000  0.75000000  0.79138000  1
  Fe  Fe11  1  0.97210000  0.25000000  0.20862000  1
  B  B12  1  0.16053000  0.25000000  0.58352000  1
  B  B13  1  0.83947000  0.75000000  0.41648000  1
  B  B14  1  0.33947000  0.75000000  0.08352000  1
  B  B15  1  0.66053000  0.25000000  0.91648000  1
