# generated using pymatgen
data_Ti4AlN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98464661
_cell_length_b   2.98464696
_cell_length_c   23.41642086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4AlN3
_chemical_formula_sum   'Ti8 Al2 N6'
_cell_volume   180.64963865
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.44604445  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.55395555  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.65475238  1.0
  Ti  Ti3  1  -0.00000000  0.00000000  0.15475238  1.0
  Ti  Ti4  1  0.00000000  -0.00000000  0.84524762  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.94604445  1.0
  Ti  Ti6  1  -0.00000000  0.00000000  0.34524762  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.05395555  1.0
  Al  Al8  1  0.66666700  0.33333300  0.75000000  1.0
  Al  Al9  1  0.33333300  0.66666700  0.25000000  1.0
  N  N10  1  0.66666700  0.33333300  0.10547591  1.0
  N  N11  1  0.33333300  0.66666700  0.60547591  1.0
  N  N12  1  -0.00000000  -0.00000000  0.50000000  1.0
  N  N13  1  0.66666700  0.33333300  0.39452409  1.0
  N  N14  1  0.33333300  0.66666700  0.89452409  1.0
  N  N15  1  0.00000000  0.00000000  0.00000000  1.0