# generated using pymatgen
data_Na3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92369091
_cell_length_b   6.92369091
_cell_length_c   7.07714131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3PS4
_chemical_formula_sum   'Na6 P2 S8'
_cell_volume   339.26043195
_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  0.00000000  0.50000000  0.41967521  1.0
  Na  Na1  1  0.50000000  -0.00000000  0.58032479  1.0
  Na  Na2  1  0.50000000  -0.00000000  0.08032479  1.0
  Na  Na3  1  0.00000000  0.50000000  0.91967521  1.0
  Na  Na4  1  0.00000000  -0.00000000  0.00000000  1.0
  Na  Na5  1  0.50000000  0.50000000  0.50000000  1.0
  P  P6  1  0.00000000  -0.00000000  0.50000000  1.0
  P  P7  1  0.50000000  0.50000000  0.00000000  1.0
  S  S8  1  0.30981047  0.34847150  0.16588040  1.0
  S  S9  1  0.34847150  0.69018953  0.83411960  1.0
  S  S10  1  0.65152850  0.30981047  0.83411960  1.0
  S  S11  1  0.80981047  0.15152850  0.33411960  1.0
  S  S12  1  0.19018953  0.84847150  0.33411960  1.0
  S  S13  1  0.69018953  0.65152850  0.16588040  1.0
  S  S14  1  0.15152850  0.19018953  0.66588040  1.0
  S  S15  1  0.84847150  0.80981047  0.66588040  1.0