# generated using pymatgen
data_Ti3AlCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04043269
_cell_length_b   3.04043348
_cell_length_c   18.40723691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3AlCN
_chemical_formula_sum   'Ti6 Al2 C2 N2'
_cell_volume   147.36353442
_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  0.66666700  0.33333300  0.37195394  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.87195394  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.62839102  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.12839102  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.49959266  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.99959266  1.0
  Al  Al6  1  0.00000000  0.00000000  0.75104781  1.0
  Al  Al7  1  0.00000000  0.00000000  0.25104781  1.0
  C  C8  1  0.33333300  0.66666700  0.06827331  1.0
  C  C9  1  0.66666700  0.33333300  0.56827331  1.0
  N  N10  1  0.33333300  0.66666700  0.43074226  1.0
  N  N11  1  0.66666700  0.33333300  0.93074226  1.0