# generated using pymatgen
data_Li2Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56180100
_cell_length_b   6.40880400
_cell_length_c   6.60361713
_cell_angle_alpha   64.39452419
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2S3
_chemical_formula_sum   'Li4 Fe4 S6'
_cell_volume   250.43091311
_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  0.33905200  0.12731000  0.06952000  1
  Li  Li1  1  0.16094800  0.62731000  0.06952000  1
  Li  Li2  1  0.83905200  0.37269000  0.93048000  1
  Li  Li3  1  0.66094800  0.87269000  0.93048000  1
  Fe  Fe4  1  0.61385300  0.44277700  0.35150300  1
  Fe  Fe5  1  0.11385300  0.05722300  0.64849700  1
  Fe  Fe6  1  0.88614700  0.94277700  0.35150300  1
  Fe  Fe7  1  0.38614700  0.55722300  0.64849700  1
  S  S8  1  0.50000000  0.50000000  0.00000000  1
  S  S9  1  0.00000000  0.00000000  0.00000000  1
  S  S10  1  0.94276400  0.31471600  0.33428800  1
  S  S11  1  0.44276400  0.18528400  0.66571200  1
  S  S12  1  0.55723600  0.81471600  0.33428800  1
  S  S13  1  0.05723600  0.68528400  0.66571200  1
