# generated using pymatgen
data_Na3PS3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57406163
_cell_length_b   7.57406163
_cell_length_c   5.97102100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.10009146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3PS3O
_chemical_formula_sum   'Na6 P2 S6 O2'
_cell_volume   336.12799454
_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  0.91545800  0.68163600  0.25329100  1.0
  Na  Na1  1  0.63089400  0.36910600  0.70518900  1.0
  Na  Na2  1  0.36910600  0.63089400  0.20518900  1.0
  Na  Na3  1  0.31836400  0.08454200  0.25329100  1.0
  Na  Na4  1  0.08454200  0.31836400  0.75329100  1.0
  Na  Na5  1  0.68163600  0.91545800  0.75329100  1.0
  P  P6  1  0.79425000  0.20575000  0.14557000  1.0
  P  P7  1  0.20575000  0.79425000  0.64557000  1.0
  S  S8  1  0.04502500  0.31075200  0.27116200  1.0
  S  S9  1  0.62090900  0.37909100  0.23121800  1.0
  S  S10  1  0.37909100  0.62090900  0.73121800  1.0
  S  S11  1  0.95497500  0.68924800  0.77116200  1.0
  S  S12  1  0.68924800  0.95497500  0.27116200  1.0
  S  S13  1  0.31075200  0.04502500  0.77116200  1.0
  O  O14  1  0.80304600  0.19695400  0.88721600  1.0
  O  O15  1  0.19695400  0.80304600  0.38721500  1.0