# generated using pymatgen
data_NbNiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12886500
_cell_length_b   6.04931000
_cell_length_c   8.21034500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiB2
_chemical_formula_sum   'Nb4 Ni4 B8'
_cell_volume   155.40109425
_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
  Nb  Nb0  1  0.75000000  0.36777700  0.63269800  1.0
  Nb  Nb1  1  0.75000000  0.86777700  0.86730200  1.0
  Nb  Nb2  1  0.25000000  0.63222300  0.36730200  1.0
  Nb  Nb3  1  0.25000000  0.13222300  0.13269800  1.0
  Ni  Ni4  1  0.75000000  0.50102200  0.11514000  1.0
  Ni  Ni5  1  0.75000000  0.00102200  0.38486000  1.0
  Ni  Ni6  1  0.25000000  0.49897800  0.88486000  1.0
  Ni  Ni7  1  0.25000000  0.99897800  0.61514000  1.0
  B  B8  1  0.75000000  0.25875500  0.92313200  1.0
  B  B9  1  0.75000000  0.75875500  0.57686800  1.0
  B  B10  1  0.25000000  0.74124500  0.07686800  1.0
  B  B11  1  0.25000000  0.24124500  0.42313200  1.0
  B  B12  1  0.75000000  0.32908900  0.33295800  1.0
  B  B13  1  0.75000000  0.82908900  0.16704200  1.0
  B  B14  1  0.25000000  0.67091100  0.66704200  1.0
  B  B15  1  0.25000000  0.17091100  0.83295800  1.0