# generated using pymatgen
data_K6LiFe24S26Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89018700
_cell_length_b   9.89018700
_cell_length_c   9.89018700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K6LiFe24S26Cl
_chemical_formula_sum   'K6 Li1 Fe24 S26 Cl1'
_cell_volume   967.41654263
_cell_formula_units_Z   1
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
  K  K0  1  0.69925200  0.00000000  0.00000000  1
  K  K1  1  0.00000000  0.00000000  0.69925200  1
  K  K2  1  0.00000000  0.69925200  0.00000000  1
  K  K3  1  0.00000000  0.30074800  0.00000000  1
  K  K4  1  0.00000000  0.00000000  0.30074800  1
  K  K5  1  0.30074800  0.00000000  0.00000000  1
  Li  Li6  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.13368900  0.36639900  0.36639900  1
  Fe  Fe8  1  0.13368900  0.36639900  0.63360100  1
  Fe  Fe9  1  0.13368900  0.63360100  0.36639900  1
  Fe  Fe10  1  0.13368900  0.63360100  0.63360100  1
  Fe  Fe11  1  0.36639900  0.13368900  0.63360100  1
  Fe  Fe12  1  0.36639900  0.63360100  0.13368900  1
  Fe  Fe13  1  0.36639900  0.63360100  0.86631100  1
  Fe  Fe14  1  0.36639900  0.86631100  0.63360100  1
  Fe  Fe15  1  0.36639900  0.13368900  0.36639900  1
  Fe  Fe16  1  0.36639900  0.36639900  0.13368900  1
  Fe  Fe17  1  0.36639900  0.36639900  0.86631100  1
  Fe  Fe18  1  0.36639900  0.86631100  0.36639900  1
  Fe  Fe19  1  0.63360100  0.13368900  0.36639900  1
  Fe  Fe20  1  0.63360100  0.13368900  0.63360100  1
  Fe  Fe21  1  0.63360100  0.36639900  0.13368900  1
  Fe  Fe22  1  0.63360100  0.63360100  0.13368900  1
  Fe  Fe23  1  0.63360100  0.63360100  0.86631100  1
  Fe  Fe24  1  0.63360100  0.86631100  0.63360100  1
  Fe  Fe25  1  0.63360100  0.36639900  0.86631100  1
  Fe  Fe26  1  0.63360100  0.86631100  0.36639900  1
  Fe  Fe27  1  0.86631100  0.36639900  0.63360100  1
  Fe  Fe28  1  0.86631100  0.36639900  0.36639900  1
  Fe  Fe29  1  0.86631100  0.63360100  0.36639900  1
  Fe  Fe30  1  0.86631100  0.63360100  0.63360100  1
  S  S31  1  0.50000000  0.00000000  0.74900400  1
  S  S32  1  0.50000000  0.25099600  0.00000000  1
  S  S33  1  0.50000000  0.24597900  0.50000000  1
  S  S34  1  0.50000000  0.50000000  0.24597900  1
  S  S35  1  0.75402100  0.50000000  0.50000000  1
  S  S36  1  0.74900400  0.00000000  0.50000000  1
  S  S37  1  0.74900400  0.50000000  0.00000000  1
  S  S38  1  0.77248600  0.22751400  0.22751400  1
  S  S39  1  0.77248600  0.77248600  0.22751400  1
  S  S40  1  0.77248600  0.22751400  0.77248600  1
  S  S41  1  0.77248600  0.77248600  0.77248600  1
  S  S42  1  0.00000000  0.74900400  0.50000000  1
  S  S43  1  0.00000000  0.50000000  0.74900400  1
  S  S44  1  0.00000000  0.25099600  0.50000000  1
  S  S45  1  0.00000000  0.50000000  0.25099600  1
  S  S46  1  0.22751400  0.22751400  0.22751400  1
  S  S47  1  0.22751400  0.77248600  0.22751400  1
  S  S48  1  0.22751400  0.22751400  0.77248600  1
  S  S49  1  0.22751400  0.77248600  0.77248600  1
  S  S50  1  0.25099600  0.00000000  0.50000000  1
  S  S51  1  0.25099600  0.50000000  0.00000000  1
  S  S52  1  0.24597900  0.50000000  0.50000000  1
  S  S53  1  0.50000000  0.75402100  0.50000000  1
  S  S54  1  0.50000000  0.50000000  0.75402100  1
  S  S55  1  0.50000000  0.74900400  0.00000000  1
  S  S56  1  0.50000000  0.00000000  0.25099600  1
  Cl  Cl57  1  0.00000000  0.00000000  0.00000000  1
