# generated using pymatgen
data_Fe5Ni3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35600000
_cell_length_b   3.35600000
_cell_length_c   17.36800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Ni3B2
_chemical_formula_sum   'Fe10 Ni6 B4'
_cell_volume   195.61119885
_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  0.00000000  0.50000000  0.39722000  1
  Fe  Fe2  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.60278000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.60278000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.39722000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.89722000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.10278000  1
  Fe  Fe8  1  0.00000000  0.50000000  0.10278000  1
  Fe  Fe9  1  0.00000000  0.50000000  0.89722000  1
  Ni  Ni10  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni11  1  0.00000000  0.00000000  0.21199000  1
  Ni  Ni12  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.00000000  0.78801000  1
  Ni  Ni14  1  0.50000000  0.50000000  0.71199000  1
  Ni  Ni15  1  0.50000000  0.50000000  0.28801000  1
  B  B16  1  0.00000000  0.00000000  0.32672000  1
  B  B17  1  0.00000000  0.00000000  0.67328000  1
  B  B18  1  0.50000000  0.50000000  0.82672000  1
  B  B19  1  0.50000000  0.50000000  0.17328000  1
