# generated using pymatgen
data_Ti3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03529135
_cell_length_b   3.25982346
_cell_length_c   7.21497063
_cell_angle_alpha   103.05620937
_cell_angle_beta   102.14267796
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3B4
_chemical_formula_sum   'Ti3 B4'
_cell_volume   67.90256865
_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  0.68540214  0.18540214  0.37080529  1.0
  Ti  Ti1  1  0.31459786  0.81459786  0.62919471  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.86821701  0.36821701  0.73643402  1.0
  B  B4  1  0.13178299  0.63178299  0.26356598  1.0
  B  B5  1  0.43567450  0.43567450  0.87135000  1.0
  B  B6  1  0.56432550  0.56432550  0.12865000  1.0