# generated using pymatgen
data_NaS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56804732
_cell_length_b   7.56804629
_cell_length_c   5.34684511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaS
_chemical_formula_sum   'Na6 S6'
_cell_volume   265.21364969
_cell_formula_units_Z   6
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  0.31022617  -0.00000000  -0.00000000  1.0
  Na  Na1  1  0.68977383  0.68977383  -0.00000000  1.0
  Na  Na2  1  0.00000000  0.31022617  -0.00000000  1.0
  Na  Na3  1  0.64227841  -0.00000000  0.50000000  1.0
  Na  Na4  1  0.35772159  0.35772159  0.50000000  1.0
  Na  Na5  1  0.00000000  0.64227841  0.50000000  1.0
  S  S6  1  0.00000000  0.00000000  0.30178150  1.0
  S  S7  1  0.00000000  0.00000000  0.69821850  1.0
  S  S8  1  0.33333300  0.66666700  0.19975889  1.0
  S  S9  1  0.33333300  0.66666700  0.80024111  1.0
  S  S10  1  0.66666700  0.33333300  0.80024111  1.0
  S  S11  1  0.66666700  0.33333300  0.19975889  1.0