# generated using pymatgen
data_Li2Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97201962
_cell_length_b   8.97201962
_cell_length_c   6.20711688
_cell_angle_alpha   72.73512547
_cell_angle_beta   72.73512547
_cell_angle_gamma   42.67570589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3S4
_chemical_formula_sum   'Li4 Fe6 S8'
_cell_volume   321.03726156
_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  0.81016900  0.01579700  0.94470700  1
  Li  Li1  1  0.01579700  0.81016900  0.44470700  1
  Li  Li2  1  0.98420300  0.18983100  0.55529300  1
  Li  Li3  1  0.18983100  0.98420300  0.05529300  1
  Fe  Fe4  1  0.44295700  0.18545500  0.55761600  1
  Fe  Fe5  1  0.18545500  0.44295700  0.05761600  1
  Fe  Fe6  1  0.81454500  0.55704300  0.94238400  1
  Fe  Fe7  1  0.55704300  0.81454500  0.44238400  1
  Fe  Fe8  1  0.48744400  0.51255600  0.75000000  1
  Fe  Fe9  1  0.51255600  0.48744400  0.25000000  1
  S  S10  1  0.69357500  0.19858400  0.55604100  1
  S  S11  1  0.19858400  0.69357500  0.05604100  1
  S  S12  1  0.10348500  0.50035400  0.70385900  1
  S  S13  1  0.49964600  0.89651500  0.79614100  1
  S  S14  1  0.50035400  0.10348500  0.20385900  1
  S  S15  1  0.89651500  0.49964600  0.29614100  1
  S  S16  1  0.80141600  0.30642500  0.94395900  1
  S  S17  1  0.30642500  0.80141600  0.44395900  1
