# generated using pymatgen
data_TiNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63510872
_cell_length_b   4.63510872
_cell_length_c   3.10046040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.33580042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbB2
_chemical_formula_sum   'Ti1 Nb1 B2'
_cell_volume   44.28058349
_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
  Ti  Ti0  1  0.85548815  0.14451185  0.00000000  1.0
  Nb  Nb1  1  0.14639541  0.85360459  0.50000000  1.0
  B  B2  1  0.44158867  0.55841133  0.50000000  1.0
  B  B3  1  0.55652777  0.44347223  -0.00000000  1.0