# generated using pymatgen
data_Ti4B2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.64223654
_cell_length_b   12.64223654
_cell_length_c   12.64223597
_cell_angle_alpha   13.84190071
_cell_angle_beta   13.84190071
_cell_angle_gamma   13.84189688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4B2N3
_chemical_formula_sum   'Ti4 B2 N3'
_cell_volume   100.64446732
_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  0.30503300  0.30503300  0.30503300  1.0
  Ti  Ti1  1  0.90165500  0.90165500  0.90165500  1.0
  Ti  Ti2  1  0.50347000  0.50347000  0.50347000  1.0
  Ti  Ti3  1  0.09978200  0.09978200  0.09978200  1.0
  B  B4  1  0.80007900  0.80007900  0.80007900  1.0
  B  B5  1  0.39454800  0.39454800  0.39454800  1.0
  N  N6  1  0.99314500  0.99314500  0.99314500  1.0
  N  N7  1  0.59924600  0.59924600  0.59924600  1.0
  N  N8  1  0.20304100  0.20304100  0.20304100  1.0