# generated using pymatgen
data_Li2Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25916643
_cell_length_b   9.25916643
_cell_length_c   6.28236681
_cell_angle_alpha   75.94943813
_cell_angle_beta   75.94943813
_cell_angle_gamma   85.05107085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2S3
_chemical_formula_sum   'Li8 Fe8 S12'
_cell_volume   506.64138191
_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  0.62852100  0.77240600  0.21179400  1
  Li  Li1  1  0.92339500  0.42183100  0.24599800  1
  Li  Li2  1  0.77240600  0.62852100  0.71179400  1
  Li  Li3  1  0.42183100  0.92339500  0.74599800  1
  Li  Li4  1  0.57816900  0.07660500  0.25400200  1
  Li  Li5  1  0.22759400  0.37147900  0.28820600  1
  Li  Li6  1  0.07660500  0.57816900  0.75400200  1
  Li  Li7  1  0.37147900  0.22759400  0.78820600  1
  Fe  Fe8  1  0.02418000  0.84165200  0.15473700  1
  Fe  Fe9  1  0.84165200  0.02418000  0.65473700  1
  Fe  Fe10  1  0.68289000  0.31711000  0.75000000  1
  Fe  Fe11  1  0.48400700  0.51599300  0.75000000  1
  Fe  Fe12  1  0.51599300  0.48400700  0.25000000  1
  Fe  Fe13  1  0.31711000  0.68289000  0.25000000  1
  Fe  Fe14  1  0.15834800  0.97582000  0.34526300  1
  Fe  Fe15  1  0.97582000  0.15834800  0.84526300  1
  S  S16  1  0.69426500  0.52960500  0.43518800  1
  S  S17  1  0.38640200  0.87225500  0.39593400  1
  S  S18  1  0.52960500  0.69426500  0.93518800  1
  S  S19  1  0.87225500  0.38640200  0.89593400  1
  S  S20  1  0.80812900  0.96321000  0.05117800  1
  S  S21  1  0.19187100  0.03679000  0.94882200  1
  S  S22  1  0.12774400  0.61359800  0.10406600  1
  S  S23  1  0.47039500  0.30573500  0.06481200  1
  S  S24  1  0.96321000  0.80812900  0.55117800  1
  S  S25  1  0.61359800  0.12774500  0.60406600  1
  S  S26  1  0.30573500  0.47039500  0.56481200  1
  S  S27  1  0.03679000  0.19187100  0.44882200  1
