# generated using pymatgen
data_HfNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82400129
_cell_length_b   4.82400129
_cell_length_c   3.17552960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.82663147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbB2
_chemical_formula_sum   'Hf1 Nb1 B2'
_cell_volume   48.64979510
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.85250415  0.14749585  0.00000000  1.0
  Nb  Nb1  1  0.14117218  0.85882782  0.50000000  1.0
  B  B2  1  0.55793389  0.44206611  -0.00000000  1.0
  B  B3  1  0.44838977  0.55161023  0.50000000  1.0