# generated using pymatgen
data_Li2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80558587
_cell_length_b   3.80558587
_cell_length_c   6.08492200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeS2
_chemical_formula_sum   'Li2 Fe1 S2'
_cell_volume   76.31830366
_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
  Li  Li0  1  0.66666700  0.33333300  0.64083800  1
  Li  Li1  1  0.33333300  0.66666700  0.35916200  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  S  S3  1  0.66666700  0.33333300  0.22407300  1
  S  S4  1  0.33333300  0.66666700  0.77592700  1
