# generated using pymatgen
data_Fe4NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64800000
_cell_length_b   5.64800000
_cell_length_c   3.74500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4NiB
_chemical_formula_sum   'Fe8 Ni2 B2'
_cell_volume   119.46514048
_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  0.10569000  0.67289000  0.00000000  1
  Fe  Fe1  1  0.89431000  0.32711000  0.00000000  1
  Fe  Fe2  1  0.32711000  0.10569000  0.00000000  1
  Fe  Fe3  1  0.67289000  0.89431000  0.00000000  1
  Fe  Fe4  1  0.60569000  0.17289000  0.50000000  1
  Fe  Fe5  1  0.39431000  0.82711000  0.50000000  1
  Fe  Fe6  1  0.82711000  0.60569000  0.50000000  1
  Fe  Fe7  1  0.17289000  0.39431000  0.50000000  1
  Ni  Ni8  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.00000000  1
  B  B10  1  0.00000000  0.00000000  0.00000000  1
  B  B11  1  0.50000000  0.50000000  0.50000000  1
