# generated using pymatgen
data_LiFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15951200
_cell_length_b   6.29498300
_cell_length_c   7.36041296
_cell_angle_alpha   68.43161623
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeS2
_chemical_formula_sum   'Li4 Fe4 S8'
_cell_volume   265.40946922
_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  0.89775600  0.66182500  0.61799600  1
  Li  Li1  1  0.60224400  0.16182500  0.61799600  1
  Li  Li2  1  0.39775600  0.83817500  0.38200400  1
  Li  Li3  1  0.10224400  0.33817500  0.38200400  1
  Fe  Fe4  1  0.33629300  0.65718300  0.88916700  1
  Fe  Fe5  1  0.16370700  0.15718300  0.88916700  1
  Fe  Fe6  1  0.83629300  0.84281700  0.11083300  1
  Fe  Fe7  1  0.66370700  0.34281700  0.11083300  1
  S  S8  1  0.69342200  0.70008400  0.89365000  1
  S  S9  1  0.80657800  0.20008400  0.89365000  1
  S  S10  1  0.23684100  0.00208900  0.66208200  1
  S  S11  1  0.26315900  0.50208900  0.66208200  1
  S  S12  1  0.73684100  0.49791100  0.33791800  1
  S  S13  1  0.76315900  0.99791100  0.33791800  1
  S  S14  1  0.19342200  0.79991600  0.10635000  1
  S  S15  1  0.30657800  0.29991600  0.10635000  1
