# generated using pymatgen
data_Fe4Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61100000
_cell_length_b   3.61100000
_cell_length_c   11.12800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Ni2B
_chemical_formula_sum   'Fe8 Ni4 B2'
_cell_volume   145.10156409
_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  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.14736000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.85264000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.85264000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.14736000  1
  Ni  Ni8  1  0.00000000  0.00000000  0.63677000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.66594000  1
  Ni  Ni10  1  0.00000000  0.00000000  0.36323000  1
  Ni  Ni11  1  0.50000000  0.50000000  0.33406000  1
  B  B12  1  0.00000000  0.00000000  0.80246000  1
  B  B13  1  0.00000000  0.00000000  0.19754000  1
