# generated using pymatgen
data_Li2Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24853161
_cell_length_b   9.24853161
_cell_length_c   6.51577409
_cell_angle_alpha   69.80779124
_cell_angle_beta   69.80779124
_cell_angle_gamma   80.91780762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2S3
_chemical_formula_sum   'Li8 Fe8 S12'
_cell_volume   490.45300395
_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  0.82367200  0.99086200  0.04487000  1
  Li  Li1  1  0.99086200  0.82367200  0.54487000  1
  Li  Li2  1  0.27743000  0.72257000  0.25000000  1
  Li  Li3  1  0.57682800  0.42317200  0.25000000  1
  Li  Li4  1  0.42317200  0.57682800  0.75000000  1
  Li  Li5  1  0.72257000  0.27743000  0.75000000  1
  Li  Li6  1  0.00913800  0.17632800  0.45513000  1
  Li  Li7  1  0.17632800  0.00913800  0.95513000  1
  Fe  Fe8  1  0.78655300  0.62868000  0.37526400  1
  Fe  Fe9  1  0.44105000  0.93706800  0.39883100  1
  Fe  Fe10  1  0.62868000  0.78655300  0.87526400  1
  Fe  Fe11  1  0.93706800  0.44105000  0.89883100  1
  Fe  Fe12  1  0.06293200  0.55895000  0.10116900  1
  Fe  Fe13  1  0.37132000  0.21344700  0.12473600  1
  Fe  Fe14  1  0.55895000  0.06293200  0.60116900  1
  Fe  Fe15  1  0.21344700  0.37132000  0.62473600  1
  S  S16  1  0.55817200  0.71861400  0.28203200  1
  S  S17  1  0.85199200  0.39422800  0.29751500  1
  S  S18  1  0.71861400  0.55817200  0.78203200  1
  S  S19  1  0.39422800  0.85199200  0.79751500  1
  S  S20  1  0.99298300  0.78546700  0.18888800  1
  S  S21  1  0.00701700  0.21453300  0.81111200  1
  S  S22  1  0.60577200  0.14800800  0.20248500  1
  S  S23  1  0.28138600  0.44182800  0.21796800  1
  S  S24  1  0.78546700  0.99298300  0.68888800  1
  S  S25  1  0.14800800  0.60577200  0.70248500  1
  S  S26  1  0.44182800  0.28138600  0.71796800  1
  S  S27  1  0.21453300  0.00701700  0.31111200  1
