# generated using pymatgen
data_Ti6P2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31931905
_cell_length_b   5.31932144
_cell_length_c   7.89574630
_cell_angle_alpha   89.71201126
_cell_angle_beta   90.28798881
_cell_angle_gamma   144.90048083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6P2CN
_chemical_formula_sum   'Ti6 P2 C1 N1'
_cell_volume   128.45944799
_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  0.63367701  0.36632399  0.05366156  1.0
  Ti  Ti1  1  0.93913103  0.06086997  0.24689559  1.0
  Ti  Ti2  1  0.63250289  0.36749811  0.44278922  1.0
  Ti  Ti3  1  0.36749811  0.63250289  0.55720978  1.0
  Ti  Ti4  1  0.06086997  0.93913103  0.75310441  1.0
  Ti  Ti5  1  0.36632399  0.63367701  0.94633844  1.0
  P  P6  1  0.25511361  0.74488739  0.24877851  1.0
  P  P7  1  0.74488739  0.25511361  0.75122149  1.0
  C  C8  1  0.00000000  0.00000000  0.49999900  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0