# generated using pymatgen
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51144185
_cell_length_b   8.51144185
_cell_length_c   4.19981032
_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   'Fe16 Ni8 B8'
_cell_volume   304.25375664
_cell_formula_units_Z   8
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  0.47469200  0.86116800  0.50967900  1
  Fe  Fe1  1  0.52530800  0.13883200  0.50967900  1
  Fe  Fe2  1  0.36116800  0.02530800  0.99032100  1
  Fe  Fe3  1  0.63883200  0.97469200  0.99032100  1
  Fe  Fe4  1  0.89317900  0.08361400  0.75344300  1
  Fe  Fe5  1  0.10682100  0.91638600  0.75344300  1
  Fe  Fe6  1  0.58361400  0.60682100  0.74655700  1
  Fe  Fe7  1  0.41638600  0.39317900  0.74655700  1
  Fe  Fe8  1  0.97469200  0.36116800  0.00967900  1
  Fe  Fe9  1  0.02530800  0.63883200  0.00967900  1
  Fe  Fe10  1  0.86116800  0.52530800  0.49032100  1
  Fe  Fe11  1  0.13883200  0.47469200  0.49032100  1
  Fe  Fe12  1  0.39317900  0.58361400  0.25344300  1
  Fe  Fe13  1  0.60682100  0.41638600  0.25344300  1
  Fe  Fe14  1  0.08361400  0.10682100  0.24655700  1
  Fe  Fe15  1  0.91638600  0.89317900  0.24655700  1
  Ni  Ni16  1  0.78423700  0.17832000  0.26242100  1
  Ni  Ni17  1  0.21576300  0.82168000  0.26242100  1
  Ni  Ni18  1  0.67832000  0.71576300  0.23757900  1
  Ni  Ni19  1  0.32168000  0.28423700  0.23757900  1
  Ni  Ni20  1  0.28423700  0.67832000  0.76242100  1
  Ni  Ni21  1  0.71576300  0.32168000  0.76242100  1
  Ni  Ni22  1  0.17832000  0.21576300  0.73757900  1
  Ni  Ni23  1  0.82168000  0.78423700  0.73757900  1
  B  B24  1  0.46330300  0.79296300  0.01129000  1
  B  B25  1  0.53669700  0.20703700  0.01129000  1
  B  B26  1  0.29296300  0.03669700  0.48871000  1
  B  B27  1  0.70703700  0.96330300  0.48871000  1
  B  B28  1  0.96330300  0.29296300  0.51129000  1
  B  B29  1  0.03669700  0.70703700  0.51129000  1
  B  B30  1  0.79296300  0.53669700  0.98871000  1
  B  B31  1  0.20703700  0.46330300  0.98871000  1
