# generated using pymatgen
data_Li2C3SN6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62715959
_cell_length_b   9.62715959
_cell_length_c   8.05582206
_cell_angle_alpha   70.38681240
_cell_angle_beta   70.38681240
_cell_angle_gamma   55.67901987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2C3SN6O7
_chemical_formula_sum   'Li4 C6 S2 N12 O14'
_cell_volume   570.48090076
_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
  Li  Li0  1  0.23431300  0.61427800  0.67031400  1
  Li  Li1  1  0.38572200  0.76568700  0.82968600  1
  Li  Li2  1  0.76568700  0.38572200  0.32968600  1
  Li  Li3  1  0.61427800  0.23431300  0.17031400  1
  C  C4  1  0.41969600  0.09437500  0.75538800  1
  C  C5  1  0.90562500  0.58030400  0.74461200  1
  C  C6  1  0.58030400  0.90562500  0.24461200  1
  C  C7  1  0.09437500  0.41969600  0.25538800  1
  C  C8  1  0.03545800  0.96454200  0.75000000  1
  C  C9  1  0.96454200  0.03545800  0.25000000  1
  S  S10  1  0.60800900  0.39199100  0.75000000  1
  S  S11  1  0.39199100  0.60800900  0.25000000  1
  N  N12  1  0.33816100  0.17053800  0.89496000  1
  N  N13  1  0.82946200  0.66183900  0.60504000  1
  N  N14  1  0.66183900  0.82946200  0.10504000  1
  N  N15  1  0.17053800  0.33816100  0.39496000  1
  N  N16  1  0.52235100  0.13286100  0.61562200  1
  N  N17  1  0.86713900  0.47764900  0.88437800  1
  N  N18  1  0.47764900  0.86713900  0.38437800  1
  N  N19  1  0.13286100  0.52235100  0.11562200  1
  N  N20  1  0.90138400  0.97291600  0.71558000  1
  N  N21  1  0.02708400  0.09861600  0.78442000  1
  N  N22  1  0.09861600  0.02708400  0.28442000  1
  N  N23  1  0.97291600  0.90138400  0.21558000  1
  O  O24  1  0.67754800  0.26939200  0.91136600  1
  O  O25  1  0.73060800  0.32245200  0.58863400  1
  O  O26  1  0.32245200  0.73060800  0.08863400  1
  O  O27  1  0.26939200  0.67754800  0.41136600  1
  O  O28  1  0.58257500  0.56214000  0.74281200  1
  O  O29  1  0.43786000  0.41742500  0.75718800  1
  O  O30  1  0.41742500  0.43786000  0.25718800  1
  O  O31  1  0.56214000  0.58257500  0.24281200  1
  O  O32  1  0.40008300  0.97119300  0.75434400  1
  O  O33  1  0.02880700  0.59991700  0.74565600  1
  O  O34  1  0.59991700  0.02880700  0.24565600  1
  O  O35  1  0.97119300  0.40008300  0.25434400  1
  O  O36  1  0.17989000  0.82011000  0.75000000  1
  O  O37  1  0.82011000  0.17989000  0.25000000  1
