# generated using pymatgen
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60600000
_cell_length_b   12.92800000
_cell_length_c   3.35900000
_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   156.59109811
_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  0.00000000  0.61086000  0.25000000  1
  Fe  Fe1  1  0.00000000  0.25600000  0.25000000  1
  Fe  Fe2  1  0.00000000  0.38914000  0.75000000  1
  Fe  Fe3  1  0.50000000  0.11086000  0.25000000  1
  Fe  Fe4  1  0.50000000  0.88914000  0.75000000  1
  Fe  Fe5  1  0.00000000  0.74400000  0.75000000  1
  Fe  Fe6  1  0.50000000  0.75600000  0.25000000  1
  Fe  Fe7  1  0.50000000  0.24400000  0.75000000  1
  Ni  Ni8  1  0.00000000  0.88036000  0.25000000  1
  Ni  Ni9  1  0.00000000  0.11964000  0.75000000  1
  Ni  Ni10  1  0.50000000  0.38036000  0.25000000  1
  Ni  Ni11  1  0.50000000  0.61964000  0.75000000  1
  B  B12  1  0.00000000  0.03283000  0.25000000  1
  B  B13  1  0.00000000  0.96717000  0.75000000  1
  B  B14  1  0.50000000  0.53283000  0.25000000  1
  B  B15  1  0.50000000  0.46717000  0.75000000  1
