# generated using pymatgen
data_Ti6C4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28058104
_cell_length_b   5.28058161
_cell_length_c   5.28747572
_cell_angle_alpha   99.68785809
_cell_angle_beta   99.68786637
_cell_angle_gamma   119.67356235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6C4N
_chemical_formula_sum   'Ti6 C4 N1'
_cell_volume   120.70572869
_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  0.43619436  0.08564006  0.25335371  1.0
  Ti  Ti1  1  0.08564006  0.43619436  0.25335371  1.0
  Ti  Ti2  1  0.73454960  0.73454960  0.26571254  1.0
  Ti  Ti3  1  0.26545140  0.26545140  0.73428846  1.0
  Ti  Ti4  1  0.91436094  0.56380664  0.74664529  1.0
  Ti  Ti5  1  0.56380664  0.91436094  0.74664529  1.0
  C  C6  1  0.66701363  0.33298537  0.00000000  1.0
  C  C7  1  0.33298537  0.66701363  1.00000000  1.0
  C  C8  1  0.83378830  0.16621270  0.50000000  1.0
  C  C9  1  0.16621270  0.83378830  0.50000000  1.0
  N  N10  1  0.50000000  0.50000000  0.50000000  1.0