# generated using pymatgen
data_NaTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55745685
_cell_length_b   3.55745685
_cell_length_c   6.72081712
_cell_angle_alpha   89.99768640
_cell_angle_beta   89.99768640
_cell_angle_gamma   59.99722254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiS2
_chemical_formula_sum   'Na1 Ti1 S2'
_cell_volume   73.65798522
_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
  Na  Na0  1  0.99999732  0.00000268  0.50000000  1.0
  Ti  Ti1  1  0.99999646  0.00000354  -0.00000000  1.0
  S  S2  1  0.66666959  0.66667536  0.78894246  1.0
  S  S3  1  0.33332464  0.33333041  0.21105754  1.0