# generated using pymatgen
data_Li2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22541653
_cell_length_b   6.22541653
_cell_length_c   6.22541653
_cell_angle_alpha   148.40548929
_cell_angle_beta   136.05415443
_cell_angle_gamma   55.12603204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeS2
_chemical_formula_sum   'Li2 Fe1 S2'
_cell_volume   87.14748621
_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  0.69841100  0.69841100  0.00000000  1
  Li  Li1  1  0.30158900  0.30158900  0.00000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  S  S3  1  0.86381500  0.36381500  0.50000000  1
  S  S4  1  0.13618500  0.63618500  0.50000000  1
