# generated using pymatgen
data_FeNiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03465291
_cell_length_b   4.16678039
_cell_length_c   4.09417428
_cell_angle_alpha   75.09397826
_cell_angle_beta   53.10814295
_cell_angle_gamma   51.79787879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiB
_chemical_formula_sum   'Fe2 Ni2 B2'
_cell_volume   53.08421585
_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  0.33205600  0.66794400  0.33205600  1.0
  Fe  Fe1  1  0.66794400  0.33205600  0.66794400  1.0
  Ni  Ni2  1  0.16868500  0.16868500  0.83131500  1.0
  Ni  Ni3  1  0.83131500  0.83131500  0.16868500  1.0
  B  B4  1  0.75000000  0.75000000  0.75000000  1.0
  B  B5  1  0.25000000  0.25000000  0.25000000  1.0