# generated using pymatgen
data_Li3FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.88674900
_cell_length_b   6.55456500
_cell_length_c   6.66959629
_cell_angle_alpha   64.25020486
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeS3
_chemical_formula_sum   'Li12 Fe4 S12'
_cell_volume   507.41915097
_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  0.32064100  0.94077000  0.20729600  1
  Li  Li1  1  0.17935900  0.94077000  0.70729600  1
  Li  Li2  1  0.28270800  0.34646200  0.81569600  1
  Li  Li3  1  0.06162900  0.30349000  0.02186600  1
  Li  Li4  1  0.56162900  0.69651000  0.47813400  1
  Li  Li5  1  0.78270800  0.65353800  0.68430400  1
  Li  Li6  1  0.21729200  0.34646200  0.31569600  1
  Li  Li7  1  0.43837100  0.30349000  0.52186600  1
  Li  Li8  1  0.93837100  0.69651000  0.97813400  1
  Li  Li9  1  0.71729200  0.65353800  0.18430400  1
  Li  Li10  1  0.82064100  0.05923000  0.29270400  1
  Li  Li11  1  0.67935900  0.05923000  0.79270400  1
  Fe  Fe12  1  0.07137900  0.68735600  0.34013100  1
  Fe  Fe13  1  0.42862100  0.68735600  0.84013100  1
  Fe  Fe14  1  0.57137900  0.31264400  0.15986900  1
  Fe  Fe15  1  0.92862100  0.31264400  0.65986900  1
  S  S16  1  0.64517200  0.00317000  0.17403400  1
  S  S17  1  0.38030900  0.64435400  0.54125000  1
  S  S18  1  0.61053500  0.65620800  0.85594900  1
  S  S19  1  0.85482800  0.00317000  0.67403400  1
  S  S20  1  0.11969100  0.64435400  0.04125000  1
  S  S21  1  0.88946500  0.65620800  0.35594900  1
  S  S22  1  0.11053500  0.34379200  0.64405100  1
  S  S23  1  0.88030900  0.35564600  0.95875000  1
  S  S24  1  0.14517200  0.99683000  0.32596600  1
  S  S25  1  0.38946500  0.34379200  0.14405100  1
  S  S26  1  0.61969100  0.35564600  0.45875000  1
  S  S27  1  0.35482800  0.99683000  0.82596600  1
