# generated using pymatgen
data_Li(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87140914
_cell_length_b   6.87140914
_cell_length_c   6.87140914
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(FeS2)2
_chemical_formula_sum   'Li2 Fe4 S8'
_cell_volume   229.41532583
_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  0.75000000  0.75000000  0.75000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.62500000  0.12500000  0.12500000  1
  Fe  Fe3  1  0.12500000  0.12500000  0.62500000  1
  Fe  Fe4  1  0.12500000  0.12500000  0.12500000  1
  Fe  Fe5  1  0.12500000  0.62500000  0.12500000  1
  S  S6  1  0.91785000  0.36071700  0.36071700  1
  S  S7  1  0.36071700  0.36071700  0.91785000  1
  S  S8  1  0.36071700  0.36071700  0.36071700  1
  S  S9  1  0.33215000  0.88928300  0.88928300  1
  S  S10  1  0.88928300  0.33215000  0.88928300  1
  S  S11  1  0.88928300  0.88928300  0.33215000  1
  S  S12  1  0.36071700  0.91785000  0.36071700  1
  S  S13  1  0.88928300  0.88928300  0.88928300  1
