# generated using pymatgen
data_LiHS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83624404
_cell_length_b   7.83624404
_cell_length_c   6.11737050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHS
_chemical_formula_sum   'Li8 H8 S8'
_cell_volume   375.64766143
_cell_formula_units_Z   8
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  0.00000000  0.50000000  0.75000000  1
  Li  Li1  1  0.50000000  0.00000000  0.75000000  1
  Li  Li2  1  0.00000000  0.50000000  0.25000000  1
  Li  Li3  1  0.00000000  0.00000000  0.25000000  1
  Li  Li4  1  0.50000000  0.50000000  0.25000000  1
  Li  Li5  1  0.50000000  0.50000000  0.75000000  1
  Li  Li6  1  0.50000000  0.00000000  0.25000000  1
  Li  Li7  1  0.00000000  0.00000000  0.75000000  1
  H  H8  1  0.25117158  0.81297328  -0.00000000  1
  H  H9  1  0.74882842  0.18702672  0.00000000  1
  H  H10  1  0.18702672  0.25117158  0.50000000  1
  H  H11  1  0.75117158  0.68702672  0.00000000  1
  H  H12  1  0.68702672  0.24882842  0.50000000  1
  H  H13  1  0.31297328  0.75117158  0.50000000  1
  H  H14  1  0.24882842  0.31297328  -0.00000000  1
  H  H15  1  0.81297328  0.74882842  0.50000000  1
  S  S16  1  0.24986130  0.98416478  0.00000000  1
  S  S17  1  0.75013870  0.01583522  0.00000000  1
  S  S18  1  0.01583522  0.24986130  0.50000000  1
  S  S19  1  0.98416478  0.75013870  0.50000000  1
  S  S20  1  0.48416478  0.74986130  0.50000000  1
  S  S21  1  0.74986130  0.51583522  0.00000000  1
  S  S22  1  0.25013870  0.48416478  0.00000000  1
  S  S23  1  0.51583522  0.25013870  0.50000000  1
