# generated using pymatgen
data_Li2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34201655
_cell_length_b   6.34201655
_cell_length_c   6.34201655
_cell_angle_alpha   132.77795834
_cell_angle_beta   124.90102611
_cell_angle_gamma   75.44438991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeS2
_chemical_formula_sum   'Li4 Fe2 S4'
_cell_volume   149.50873659
_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  0.21145800  0.36142100  0.85003700  1
  Li  Li1  1  0.51138500  0.86142100  0.64996300  1
  Li  Li2  1  0.48861500  0.13857900  0.35003700  1
  Li  Li3  1  0.78854200  0.63857900  0.14996300  1
  Fe  Fe4  1  0.00000000  0.25000000  0.25000000  1
  Fe  Fe5  1  0.00000000  0.75000000  0.75000000  1
  S  S6  1  0.10906100  0.88361200  0.22544900  1
  S  S7  1  0.34183800  0.61638800  0.72544900  1
  S  S8  1  0.65816200  0.38361200  0.27455100  1
  S  S9  1  0.89093900  0.11638800  0.77455100  1
