# generated using pymatgen
data_Li22P3S17Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08027538
_cell_length_b   10.51450354
_cell_length_c   26.48749688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li22P3S17Cl3
_chemical_formula_sum   'Li22 P3 S17 Cl3'
_cell_volume   1971.87708247
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Li+  1.0
  P5+  5.0
  S2-  -2.0
  Cl-  -1.0
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  0.79316505  0.62861246  0.37500000  1.0
  Li+  Li1  1  0.80897651  0.90107452  0.30410307  1.0
  Li+  Li2  1  0.20683495  0.62861246  0.37500000  1.0
  Li+  Li3  1  0.19102349  0.90107452  0.30410307  1.0
  Li+  Li4  1  0.19102349  0.90107452  0.44589693  1.0
  Li+  Li5  1  0.80897651  0.90107452  0.44589693  1.0
  Li+  Li6  1  0.29316813  0.12861317  0.50000000  1.0
  Li+  Li7  1  0.30897445  0.40107232  0.42910303  1.0
  Li+  Li8  1  0.70683187  0.12861317  0.50000000  1.0
  Li+  Li9  1  0.69102555  0.40107232  0.42910303  1.0
  Li+  Li10  1  0.69102555  0.40107232  0.32089697  1.0
  Li+  Li11  1  0.30897445  0.40107232  0.32089697  1.0
  Li+  Li12  1  0.79316505  0.62861246  0.62500000  1.0
  Li+  Li13  1  0.80897651  0.90107452  0.55410307  1.0
  Li+  Li14  1  0.20683495  0.62861246  0.62500000  1.0
  Li+  Li15  1  0.19102349  0.90107452  0.55410307  1.0
  Li+  Li16  1  0.19102349  0.90107452  0.69589693  1.0
  Li+  Li17  1  0.80897651  0.90107452  0.69589693  1.0
  Li+  Li18  1  0.30897445  0.40107232  0.67910303  1.0
  Li+  Li19  1  0.69102555  0.40107232  0.67910303  1.0
  Li+  Li20  1  0.69102555  0.40107232  0.57089697  1.0
  Li+  Li21  1  0.30897445  0.40107232  0.57089697  1.0
  P5+  P22  1  0.50000000  0.11661377  0.37500000  1.0
  P5+  P23  1  0.00000000  0.61661070  0.50000000  1.0
  P5+  P24  1  0.50000000  0.11661377  0.62500000  1.0
  S2-  S25  1  0.24890356  0.71258919  0.50000000  1.0
  S2-  S26  1  0.50000000  0.00000252  0.43839325  1.0
  S2-  S27  1  0.75109644  0.71258919  0.50000000  1.0
  S2-  S28  1  0.50000000  0.00000252  0.31160675  1.0
  S2-  S29  1  0.00000000  0.02637519  0.50000000  1.0
  S2-  S30  1  0.74891310  0.21258625  0.37500000  1.0
  S2-  S31  1  0.00000000  0.49999968  0.31339314  1.0
  S2-  S32  1  0.25108690  0.21258625  0.37500000  1.0
  S2-  S33  1  0.00000000  0.49999968  0.43660686  1.0
  S2-  S34  1  0.50000000  0.52637141  0.37500000  1.0
  S2-  S35  1  0.50000000  0.00000252  0.68839325  1.0
  S2-  S36  1  0.50000000  0.00000252  0.56160675  1.0
  S2-  S37  1  0.74891310  0.21258625  0.62500000  1.0
  S2-  S38  1  0.00000000  0.49999968  0.56339314  1.0
  S2-  S39  1  0.25108690  0.21258625  0.62500000  1.0
  S2-  S40  1  0.00000000  0.49999968  0.68660686  1.0
  S2-  S41  1  0.50000000  0.52637141  0.62500000  1.0
  Cl-  Cl42  1  0.00000000  0.82318727  0.37500000  1.0
  Cl-  Cl43  1  0.50000000  0.32318776  0.50000000  1.0
  Cl-  Cl44  1  0.00000000  0.82318727  0.62500000  1.0
