# generated using pymatgen
data_Na2P2S2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70415199
_cell_length_b   8.84319367
_cell_length_c   14.53770094
_cell_angle_alpha   82.50657542
_cell_angle_beta   88.61137126
_cell_angle_gamma   119.76957974
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2P2S2O7
_chemical_formula_sum   'Na8 P8 S8 O28'
_cell_volume   957.87044792
_cell_formula_units_Z   4
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  0.16897800  0.57817100  0.21082900  1.0
  Na  Na1  1  0.83102200  0.42182900  0.78917100  1.0
  Na  Na2  1  0.80156400  0.53329600  0.05126100  1.0
  Na  Na3  1  0.19843600  0.46670400  0.94873900  1.0
  Na  Na4  1  0.26239700  0.83722800  0.40931000  1.0
  Na  Na5  1  0.73760300  0.16277200  0.59069000  1.0
  Na  Na6  1  0.34781300  0.12298800  0.74012700  1.0
  Na  Na7  1  0.65218700  0.87701200  0.25987300  1.0
  P  P8  1  0.55854900  0.98084100  0.87994300  1.0
  P  P9  1  0.44145100  0.01915900  0.12005700  1.0
  P  P10  1  0.79693100  0.17641600  0.01879100  1.0
  P  P11  1  0.20306900  0.82358400  0.98120900  1.0
  P  P12  1  0.31677500  0.46183800  0.61718800  1.0
  P  P13  1  0.68322500  0.53816200  0.38281200  1.0
  P  P14  1  0.29110000  0.41824700  0.41132000  1.0
  P  P15  1  0.70890000  0.58175300  0.58868000  1.0
  S  S16  1  0.06179400  0.87661100  0.89660500  1.0
  S  S17  1  0.93820600  0.12338900  0.10339500  1.0
  S  S18  1  0.32917000  0.09265400  0.22182700  1.0
  S  S19  1  0.67083000  0.90734600  0.77817300  1.0
  S  S20  1  0.11472700  0.21772900  0.36050800  1.0
  S  S21  1  0.88527300  0.78227100  0.63949200  1.0
  S  S22  1  0.18673100  0.60786300  0.63712100  1.0
  S  S23  1  0.81326900  0.39213700  0.36287900  1.0
  O  O24  1  0.11436000  0.65474500  0.05066900  1.0
  O  O25  1  0.88564000  0.34525500  0.94933100  1.0
  O  O26  1  0.36901700  0.81332000  0.92386600  1.0
  O  O27  1  0.63098300  0.18668000  0.07613400  1.0
  O  O28  1  0.32256700  0.99284500  0.03328900  1.0
  O  O29  1  0.67743300  0.00715500  0.96671100  1.0
  O  O30  1  0.44853400  0.85686900  0.15599400  1.0
  O  O31  1  0.55146600  0.14313100  0.84400600  1.0
  O  O32  1  0.27943000  0.32722400  0.69953100  1.0
  O  O33  1  0.72057000  0.67277600  0.30046900  1.0
  O  O34  1  0.66597300  0.39620400  0.62716400  1.0
  O  O35  1  0.33402700  0.60379600  0.37283600  1.0
  O  O36  1  0.52440800  0.59376100  0.58488900  1.0
  O  O37  1  0.47559200  0.40623900  0.41511100  1.0
  O  O38  1  0.23523500  0.38196700  0.52534200  1.0
  O  O39  1  0.76476500  0.61803300  0.47465800  1.0
  O  O40  1  0.81793100  0.09978200  0.73335100  1.0
  O  O41  1  0.18206900  0.90021800  0.26664900  1.0
  O  O42  1  0.14740400  0.58951400  0.74331200  1.0
  O  O43  1  0.85259600  0.41048600  0.25668800  1.0
  O  O44  1  0.39517400  0.50702900  0.08817400  1.0
  O  O45  1  0.60482600  0.49297100  0.91182600  1.0
  O  O46  1  0.67112100  0.96935400  0.47071900  1.0
  O  O47  1  0.32887900  0.03064600  0.52928100  1.0
  O  O48  1  0.61336500  0.01622500  0.39817200  1.0
  O  O49  1  0.38663500  0.98377500  0.60182800  1.0
  O  O50  1  0.43768500  0.41149000  0.90925100  1.0
  O  O51  1  0.56231500  0.58851000  0.09074900  1.0