# generated using pymatgen
data_Ti12As4C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40779923
_cell_length_b   5.40779867
_cell_length_c   16.16167040
_cell_angle_alpha   89.80812648
_cell_angle_beta   89.80812602
_cell_angle_gamma   35.17374844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12As4C3N
_chemical_formula_sum   'Ti12 As4 C3 N1'
_cell_volume   272.26432949
_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  0.86957043  0.86957043  0.22509804  1.0
  Ti  Ti1  1  0.87223657  0.87223657  0.72166680  1.0
  Ti  Ti2  1  0.12776343  0.12776343  0.27833320  1.0
  Ti  Ti3  1  0.13042957  0.13042957  0.77490196  1.0
  Ti  Ti4  1  0.87063955  0.87063955  0.02647281  1.0
  Ti  Ti5  1  0.87102975  0.87102975  0.52530776  1.0
  Ti  Ti6  1  0.12897025  0.12897025  0.47469224  1.0
  Ti  Ti7  1  0.12936045  0.12936045  0.97352719  1.0
  Ti  Ti8  1  0.55361345  0.55361345  0.12576002  1.0
  Ti  Ti9  1  0.55490505  0.55490505  0.62280780  1.0
  Ti  Ti10  1  0.44509495  0.44509495  0.37719220  1.0
  Ti  Ti11  1  0.44638655  0.44638655  0.87423998  1.0
  As  As12  1  0.24605229  0.24605229  0.12581758  1.0
  As  As13  1  0.24658018  0.24658018  0.62391822  1.0
  As  As14  1  0.75341982  0.75341982  0.37608178  1.0
  As  As15  1  0.75394771  0.75394771  0.87418242  1.0
  C  C16  1  0.49881848  0.49881848  0.25145195  1.0
  C  C17  1  0.50118152  0.50118152  0.74854805  1.0
  C  C18  1  0.50000000  0.50000000  0.00000000  1.0
  N  N19  1  0.50000000  0.50000000  0.50000000  1.0