# generated using pymatgen
data_Li6PS5Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.84820000
_cell_length_b   9.84820000
_cell_length_c   9.84820000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6PS5Cl
_chemical_formula_sum   'Li24 P4 S20 Cl4'
_cell_volume   955.14779924
_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
  Li  Li0  1  0.02570000  0.32290000  0.32290000  1
  Li  Li1  1  0.04700000  0.95300000  0.75400000  1
  Li  Li2  1  0.17710000  0.17710000  0.02570000  1
  Li  Li3  1  0.17710000  0.52570000  0.67710000  1
  Li  Li4  1  0.17710000  0.82290000  0.97430000  1
  Li  Li5  1  0.25400000  0.54700000  0.95300000  1
  Li  Li6  1  0.32290000  0.17710000  0.47430000  1
  Li  Li7  1  0.32290000  0.82290000  0.52570000  1
  Li  Li8  1  0.32290000  0.97430000  0.67710000  1
  Li  Li9  1  0.45300000  0.04700000  0.25400000  1
  Li  Li10  1  0.47430000  0.32290000  0.17710000  1
  Li  Li11  1  0.47430000  0.67710000  0.82290000  1
  Li  Li12  1  0.52570000  0.17710000  0.67710000  1
  Li  Li13  1  0.52570000  0.82290000  0.32290000  1
  Li  Li14  1  0.67710000  0.32290000  0.97430000  1
  Li  Li15  1  0.67710000  0.52570000  0.17710000  1
  Li  Li16  1  0.67710000  0.97430000  0.32290000  1
  Li  Li17  1  0.82290000  0.02570000  0.82290000  1
  Li  Li18  1  0.82290000  0.32290000  0.52570000  1
  Li  Li19  1  0.82290000  0.47430000  0.67710000  1
  Li  Li20  1  0.82290000  0.82290000  0.02570000  1
  Li  Li21  1  0.95300000  0.95300000  0.24600000  1
  Li  Li22  1  0.97430000  0.17710000  0.82290000  1
  Li  Li23  1  0.97430000  0.67710000  0.32290000  1
  P  P24  1  0.00000000  0.00000000  0.50000000  1
  P  P25  1  0.00000000  0.50000000  0.00000000  1
  P  P26  1  0.50000000  0.00000000  0.00000000  1
  P  P27  1  0.50000000  0.50000000  0.50000000  1
  S  S28  1  0.00000000  0.00000000  0.00000000  1
  S  S29  1  0.00000000  0.50000000  0.50000000  1
  S  S30  1  0.12060000  0.12060000  0.62060000  1
  S  S31  1  0.12060000  0.37940000  0.87940000  1
  S  S32  1  0.12060000  0.62060000  0.12060000  1
  S  S33  1  0.12060000  0.87940000  0.37940000  1
  S  S34  1  0.25000000  0.25000000  0.25000000  1
  S  S35  1  0.37940000  0.12060000  0.87940000  1
  S  S36  1  0.37940000  0.37940000  0.62060000  1
  S  S37  1  0.37940000  0.62060000  0.37940000  1
  S  S38  1  0.37940000  0.87940000  0.12060000  1
  S  S39  1  0.62060000  0.12060000  0.12060000  1
  S  S40  1  0.62060000  0.37940000  0.37940000  1
  S  S41  1  0.62060000  0.62060000  0.62060000  1
  S  S42  1  0.62060000  0.87940000  0.87940000  1
  S  S43  1  0.75000000  0.75000000  0.25000000  1
  S  S44  1  0.87940000  0.12060000  0.37940000  1
  S  S45  1  0.87940000  0.37940000  0.12060000  1
  S  S46  1  0.87940000  0.62060000  0.87940000  1
  S  S47  1  0.87940000  0.87940000  0.62060000  1
  Cl  Cl48  1  0.25000000  0.75000000  0.75000000  1
  Cl  Cl49  1  0.50000000  0.00000000  0.50000000  1
  Cl  Cl50  1  0.50000000  0.50000000  0.00000000  1
  Cl  Cl51  1  0.75000000  0.25000000  0.75000000  1
