# generated using pymatgen
data_Fe3Ni3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37300000
_cell_length_b   3.38800000
_cell_length_c   13.44200000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni3B2
_chemical_formula_sum   'Fe6 Ni6 B4'
_cell_volume   153.61146601
_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  0.50000000  0.00000000  0.34669000  1
  Fe  Fe1  1  0.00000000  0.00000000  0.84581000  1
  Fe  Fe2  1  0.50000000  0.00000000  0.97343000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.84669000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.34581000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.47343000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.47623000  1
  Ni  Ni7  1  0.00000000  0.00000000  0.20910000  1
  Ni  Ni8  1  0.50000000  0.00000000  0.61378000  1
  Ni  Ni9  1  0.00000000  0.50000000  0.97623000  1
  Ni  Ni10  1  0.00000000  0.50000000  0.70910000  1
  Ni  Ni11  1  0.50000000  0.50000000  0.11378000  1
  B  B12  1  0.00000000  0.00000000  0.06268000  1
  B  B13  1  0.50000000  0.00000000  0.75827000  1
  B  B14  1  0.00000000  0.50000000  0.56268000  1
  B  B15  1  0.50000000  0.50000000  0.25827000  1
