# generated using pymatgen
data_Li3FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69106989
_cell_length_b   6.69106989
_cell_length_c   6.31516784
_cell_angle_alpha   83.52175352
_cell_angle_beta   83.52175352
_cell_angle_gamma   116.33365272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeS3
_chemical_formula_sum   'Li6 Fe2 S6'
_cell_volume   247.52726187
_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  0.58457700  0.58457700  0.65776400  1.0
  Li  Li1  1  0.17442500  0.82557500  0.50000000  1.0
  Li  Li2  1  0.82557500  0.17442500  0.50000000  1.0
  Li  Li3  1  0.74932300  0.25067700  0.00000000  1.0
  Li  Li4  1  0.25067700  0.74932300  0.00000000  1.0
  Li  Li5  1  0.41542300  0.41542300  0.34223600  1.0
  Fe  Fe6  1  0.82495700  0.82495700  0.13527400  1.0
  Fe  Fe7  1  0.17504300  0.17504300  0.86472600  1.0
  S  S8  1  0.88307600  0.88307600  0.76926200  1.0
  S  S9  1  0.83187500  0.50899500  0.26209300  1.0
  S  S10  1  0.50899500  0.83187500  0.26209300  1.0
  S  S11  1  0.16812500  0.49100500  0.73790700  1.0
  S  S12  1  0.49100500  0.16812500  0.73790700  1.0
  S  S13  1  0.11692400  0.11692400  0.23073800  1.0