# generated using pymatgen
data_Ti6CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21397602
_cell_length_b   5.21397645
_cell_length_c   5.21444512
_cell_angle_alpha   99.69264093
_cell_angle_beta   99.69263920
_cell_angle_gamma   119.95497137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6CN4
_chemical_formula_sum   'Ti6 C1 N4'
_cell_volume   115.65894401
_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  0.43601594  0.08404875  0.25366215  1.0
  Ti  Ti1  1  0.08404875  0.43601594  0.25366215  1.0
  Ti  Ti2  1  0.73719988  0.73719988  0.26243442  1.0
  Ti  Ti3  1  0.26280112  0.26280112  0.73756658  1.0
  Ti  Ti4  1  0.91595225  0.56398506  0.74633685  1.0
  Ti  Ti5  1  0.56398506  0.91595225  0.74633685  1.0
  C  C6  1  0.50000000  0.50000000  0.50000000  1.0
  N  N7  1  0.66615215  0.33384685  0.00000000  1.0
  N  N8  1  0.33384685  0.66615215  1.00000000  1.0
  N  N9  1  0.83400882  0.16599218  0.50000000  1.0
  N  N10  1  0.16599218  0.83400882  0.50000000  1.0