# generated using pymatgen
data_Fe3Ni3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40939560
_cell_length_b   5.29250868
_cell_length_c   6.62096762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.01840694
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni3B2
_chemical_formula_sum   'Fe6 Ni6 B4'
_cell_volume   154.51195405
_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  0.89664700  0.67744900  0.30640400  1
  Fe  Fe1  1  0.10335300  0.17744900  0.69359600  1
  Fe  Fe2  1  0.60304600  0.32112200  0.81123100  1
  Fe  Fe3  1  0.39695400  0.82112200  0.18876900  1
  Fe  Fe4  1  0.59965700  0.31908800  0.18999200  1
  Fe  Fe5  1  0.40034300  0.81908800  0.81000800  1
  Ni  Ni6  1  0.90198500  0.68301800  0.68433100  1
  Ni  Ni7  1  0.09801500  0.18301800  0.31566900  1
  Ni  Ni8  1  0.37955500  0.52682900  0.50205000  1
  Ni  Ni9  1  0.62044500  0.02682900  0.49795000  1
  Ni  Ni10  1  0.11912400  0.47151500  0.99895300  1
  Ni  Ni11  1  0.88087600  0.97151500  0.00104700  1
  B  B12  1  0.19358300  0.87886500  0.49558100  1
  B  B13  1  0.80641700  0.37886500  0.50441900  1
  B  B14  1  0.30495700  0.12211300  0.00080300  1
  B  B15  1  0.69504300  0.62211300  0.99919700  1
