# generated using pymatgen
data_Li2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99635700
_cell_length_b   3.99635672
_cell_length_c   44.66346397
_cell_angle_alpha   60.51829146
_cell_angle_beta   60.51829112
_cell_angle_gamma   59.99481179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2S
_chemical_formula_sum   'Li22 S11'
_cell_volume   508.28445891
_cell_formula_units_Z   11
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  0.52620700  0.52620700  0.03835500  1
  Li  Li1  1  0.52215300  0.52215300  0.13034300  1
  Li  Li2  1  0.75192200  0.75192200  0.06765400  1
  Li  Li3  1  0.75520600  0.75520600  0.15768000  1
  Li  Li4  1  0.53319900  0.53319900  0.21822200  1
  Li  Li5  1  0.23772200  0.23772200  0.29880200  1
  Li  Li6  1  0.74219400  0.74219400  0.25213000  1
  Li  Li7  1  0.24617200  0.24617200  0.38741100  1
  Li  Li8  1  0.24812100  0.24812100  0.47779500  1
  Li  Li9  1  0.74652700  0.74652700  0.34185000  1
  Li  Li10  1  0.74815200  0.74815200  0.43232300  1
  Li  Li11  1  0.24846400  0.24846400  0.56859700  1
  Li  Li12  1  0.74965800  0.74965800  0.52281100  1
  Li  Li13  1  0.24853800  0.24853800  0.65949400  1
  Li  Li14  1  0.74990700  0.74990700  0.61365500  1
  Li  Li15  1  0.24838200  0.24838200  0.75043200  1
  Li  Li16  1  0.74989000  0.74989000  0.70456100  1
  Li  Li17  1  0.24761500  0.24761500  0.84155800  1
  Li  Li18  1  0.74970900  0.74970900  0.79551500  1
  Li  Li19  1  0.23938700  0.23938700  0.93471800  1
  Li  Li20  1  0.74772900  0.74772900  0.88699000  1
  Li  Li21  1  0.75473200  0.75473200  0.97602100  1
  S  S22  1  0.98684100  0.98684100  0.00354300  1
  S  S23  1  0.98673700  0.98673700  0.09450900  1
  S  S24  1  0.98613400  0.98613400  0.18561000  1
  S  S25  1  0.99714600  0.99714600  0.36440100  1
  S  S26  1  0.99576600  0.99576600  0.27388300  1
  S  S27  1  0.00057400  0.00057400  0.45439600  1
  S  S28  1  0.00166800  0.00166800  0.63591900  1
  S  S29  1  0.00157800  0.00157800  0.72682800  1
  S  S30  1  0.00150000  0.00150000  0.54504200  1
  S  S31  1  0.00108000  0.00108000  0.81787500  1
  S  S32  1  0.99938900  0.99938900  0.90926200  1
