# generated using pymatgen
data_TiNbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07106021
_cell_length_b   3.07106021
_cell_length_c   6.56529213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99996909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbB4
_chemical_formula_sum   'Ti1 Nb1 B4'
_cell_volume   53.62428112
_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  -0.00000000  -0.00000000  0.50000000  1.0
  Nb  Nb1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  B  B2  1  0.66666700  0.33333300  0.74076875  1.0
  B  B3  1  0.66666700  0.33333300  0.25923125  1.0
  B  B4  1  0.33333300  0.66666700  0.74076875  1.0
  B  B5  1  0.33333300  0.66666700  0.25923125  1.0