# generated using pymatgen
data_Fe2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37431749
_cell_length_b   6.37431749
_cell_length_c   6.37431749
_cell_angle_alpha   96.23032578
_cell_angle_beta   96.23032578
_cell_angle_gamma   141.53137632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiB
_chemical_formula_sum   'Fe8 Ni4 B4'
_cell_volume   152.12687209
_cell_formula_units_Z   4
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  0.37084700  0.98437100  0.33586100  1.0
  Fe  Fe1  1  0.64851000  0.03498600  0.66413900  1.0
  Fe  Fe2  1  0.01562900  0.35149000  0.38647600  1.0
  Fe  Fe3  1  0.96501400  0.62915300  0.61352400  1.0
  Fe  Fe4  1  0.83705700  0.64662100  0.97679200  1.0
  Fe  Fe5  1  0.66982900  0.86026400  0.02320800  1.0
  Fe  Fe6  1  0.35337900  0.33017100  0.19043500  1.0
  Fe  Fe7  1  0.13973600  0.16294300  0.80956500  1.0
  Ni  Ni8  1  0.44074100  0.04665900  0.96255800  1.0
  Ni  Ni9  1  0.08410100  0.47818400  0.03744200  1.0
  Ni  Ni10  1  0.95334100  0.91589900  0.39408300  1.0
  Ni  Ni11  1  0.52181600  0.55925900  0.60591700  1.0
  B  B12  1  0.80425300  0.47459300  0.25626600  1.0
  B  B13  1  0.21832700  0.54798700  0.74373400  1.0
  B  B14  1  0.52540700  0.78167300  0.32966000  1.0
  B  B15  1  0.45201300  0.19574700  0.67034000  1.0