# generated using pymatgen
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33304580
_cell_length_b   6.61849677
_cell_length_c   4.40348840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiB
_chemical_formula_sum   'Fe8 Ni4 B4'
_cell_volume   155.42881334
_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  0.35332600  0.68079500  0.06069600  1
  Fe  Fe1  1  0.14667400  0.18079500  0.43930400  1
  Fe  Fe2  1  0.64667400  0.31920500  0.56069600  1
  Fe  Fe3  1  0.85332600  0.81920500  0.93930400  1
  Fe  Fe4  1  0.64667400  0.31920500  0.93930400  1
  Fe  Fe5  1  0.85332600  0.81920500  0.56069600  1
  Fe  Fe6  1  0.35332600  0.68079500  0.43930400  1
  Fe  Fe7  1  0.14667400  0.18079500  0.06069600  1
  Ni  Ni8  1  0.86660500  0.53020100  0.25000000  1
  Ni  Ni9  1  0.63339500  0.03020100  0.25000000  1
  Ni  Ni10  1  0.13339500  0.46979900  0.75000000  1
  Ni  Ni11  1  0.36660500  0.96979900  0.75000000  1
  B  B12  1  0.05579400  0.87754700  0.25000000  1
  B  B13  1  0.44420600  0.37754700  0.25000000  1
  B  B14  1  0.94420600  0.12245300  0.75000000  1
  B  B15  1  0.55579400  0.62245300  0.75000000  1
