# generated using pymatgen
data_NaTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51836272
_cell_length_b   3.51836272
_cell_length_c   16.32142600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13618344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiS2
_chemical_formula_sum   'Na2 Ti2 S4'
_cell_volume   174.73195854
_cell_formula_units_Z   2
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
  Na  Na0  1  0.66672000  0.33328000  0.25000000  1.0
  Na  Na1  1  0.33328000  0.66672000  0.75000000  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.66708900  0.33291100  0.08677600  1.0
  S  S5  1  0.33291100  0.66708900  0.91322400  1.0
  S  S6  1  0.33291100  0.66708900  0.58677600  1.0
  S  S7  1  0.66708900  0.33291100  0.41322400  1.0