# generated using pymatgen
data_NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91762795
_cell_length_b   2.96569364
_cell_length_c   3.93584256
_cell_angle_alpha   90.00000000
_cell_angle_beta   111.75563096
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB
_chemical_formula_sum   'Ni2 B2'
_cell_volume   31.63031794
_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
  Ni  Ni0  1  0.14668799  0.75000000  0.29337498  1.0
  Ni  Ni1  1  0.85331201  0.25000000  0.70662502  1.0
  B  B2  1  0.43204783  0.75000000  0.86409665  1.0
  B  B3  1  0.56795217  0.25000000  0.13590335  1.0