# generated using pymatgen
data_TiS2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42209046
_cell_length_b   3.42209046
_cell_length_c   8.94110096
_cell_angle_alpha   78.96734186
_cell_angle_beta   78.96734186
_cell_angle_gamma   59.99999117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2N
_chemical_formula_sum   'Ti1 S2 N1'
_cell_volume   88.43696277
_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  0.99997500  0.99997500  0.00007500  1.0
  S  S1  1  0.38761400  0.38761400  0.83715800  1.0
  S  S2  1  0.61238100  0.61238100  0.16285700  1.0
  N  N3  1  0.16703000  0.16703000  0.49891000  1.0