# generated using pymatgen
data_NaSc2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72235954
_cell_length_b   3.72223226
_cell_length_c   9.61472681
_cell_angle_alpha   90.00000029
_cell_angle_beta   90.02792338
_cell_angle_gamma   119.99887040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2S3
_chemical_formula_sum   'Na1 Sc2 S3'
_cell_volume   115.37035887
_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  0.99999900  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.33404567  0.66702233  0.16003881  1.0
  Sc  Sc2  1  0.66595433  0.33297667  0.83996119  1.0
  S  S3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.66772782  0.33386541  0.30798693  1.0
  S  S5  1  0.33227118  0.66613659  0.69201307  1.0