# generated using pymatgen
data_Li2Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75945308
_cell_length_b   6.75945308
_cell_length_c   5.94017505
_cell_angle_alpha   88.13490978
_cell_angle_beta   88.13490978
_cell_angle_gamma   89.28665941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3S4
_chemical_formula_sum   'Li4 Fe6 S8'
_cell_volume   271.10270464
_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  0.27003500  0.48456700  0.61076200  1
  Li  Li1  1  0.48456700  0.27003500  0.11076200  1
  Li  Li2  1  0.51543300  0.72996500  0.88923800  1
  Li  Li3  1  0.72996500  0.51543300  0.38923800  1
  Fe  Fe4  1  0.00247500  0.78329000  0.91866600  1
  Fe  Fe5  1  0.78329000  0.00247500  0.41866600  1
  Fe  Fe6  1  0.78636800  0.21363200  0.75000000  1
  Fe  Fe7  1  0.21363200  0.78636800  0.25000000  1
  Fe  Fe8  1  0.21671000  0.99752500  0.58133400  1
  Fe  Fe9  1  0.99752500  0.21671000  0.08133400  1
  S  S10  1  0.22362000  0.52080800  0.02534100  1
  S  S11  1  0.52080800  0.22362000  0.52534100  1
  S  S12  1  0.74702300  0.98630500  0.03172400  1
  S  S13  1  0.98630500  0.74702300  0.53172400  1
  S  S14  1  0.01369500  0.25297700  0.46827600  1
  S  S15  1  0.25297700  0.01369500  0.96827600  1
  S  S16  1  0.47919200  0.77638000  0.47465900  1
  S  S17  1  0.77638000  0.47919200  0.97465900  1
