# generated using pymatgen
data_NbNiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07139375
_cell_length_b   3.29028249
_cell_length_c   6.85003668
_cell_angle_alpha   103.89630218
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiB
_chemical_formula_sum   'Nb2 Ni2 B2'
_cell_volume   67.19870737
_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
  Nb  Nb0  1  0.25000000  0.90092646  0.80185192  1.0
  Nb  Nb1  1  0.75000000  0.09907354  0.19814808  1.0
  Ni  Ni2  1  0.75000000  0.29467952  0.58935804  1.0
  Ni  Ni3  1  0.25000000  0.70532048  0.41064196  1.0
  B  B4  1  0.25000000  0.53458657  0.06917415  1.0
  B  B5  1  0.75000000  0.46541343  0.93082585  1.0