# generated using pymatgen
data_Li8FeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81142021
_cell_length_b   6.81142021
_cell_length_c   13.46200200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8FeS6
_chemical_formula_sum   'Li16 Fe2 S12'
_cell_volume   540.89830540
_cell_formula_units_Z   2
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  0.68655900  0.76671400  1.0
  Li  Li1  1  0.00000000  0.62859100  0.12999200  1.0
  Li  Li2  1  0.00000000  0.37140900  0.62999200  1.0
  Li  Li3  1  0.00000000  0.31344100  0.26671400  1.0
  Li  Li4  1  0.33333300  0.66666700  0.40080200  1.0
  Li  Li5  1  0.33333300  0.66666700  0.90080200  1.0
  Li  Li6  1  0.31344100  0.31344100  0.76671400  1.0
  Li  Li7  1  0.37140900  0.37140900  0.12999200  1.0
  Li  Li8  1  0.62859100  0.62859100  0.62999200  1.0
  Li  Li9  1  0.31344100  0.00000000  0.26671400  1.0
  Li  Li10  1  0.68655900  0.68655900  0.26671400  1.0
  Li  Li11  1  0.37140900  0.00000000  0.62999200  1.0
  Li  Li12  1  0.66666700  0.33333300  0.90080200  1.0
  Li  Li13  1  0.66666700  0.33333300  0.40080200  1.0
  Li  Li14  1  0.62859100  0.00000000  0.12999200  1.0
  Li  Li15  1  0.68655900  0.00000000  0.76671400  1.0
  Fe  Fe16  1  0.00000000  0.00000000  0.00007600  1.0
  Fe  Fe17  1  0.00000000  0.00000000  0.50007600  1.0
  S  S18  1  0.00000000  0.69483800  0.95079100  1.0
  S  S19  1  0.00000000  0.30516200  0.45079100  1.0
  S  S20  1  0.33333300  0.66666700  0.21726400  1.0
  S  S21  1  0.00000000  0.00000000  0.16961600  1.0
  S  S22  1  0.00000000  0.00000000  0.66961600  1.0
  S  S23  1  0.33333300  0.66666700  0.71726400  1.0
  S  S24  1  0.30516200  0.30516200  0.95079100  1.0
  S  S25  1  0.30516200  0.00000000  0.45079100  1.0
  S  S26  1  0.69483800  0.69483800  0.45079100  1.0
  S  S27  1  0.66666700  0.33333300  0.71726400  1.0
  S  S28  1  0.66666700  0.33333300  0.21726400  1.0
  S  S29  1  0.69483800  0.00000000  0.95079100  1.0