# generated using pymatgen
data_Li5FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87095900
_cell_length_b   7.83056900
_cell_length_c   7.94245600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeS4
_chemical_formula_sum   'Li10 Fe2 S8'
_cell_volume   365.13812896
_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  0.25333500  0.75748100  0.78763600  1
  Li  Li1  1  0.25333500  0.24251900  0.78763600  1
  Li  Li2  1  0.79621300  0.50000000  0.00000000  1
  Li  Li3  1  0.25333500  0.75748100  0.21236400  1
  Li  Li4  1  0.25333500  0.24251900  0.21236400  1
  Li  Li5  1  0.74666500  0.74251900  0.28763600  1
  Li  Li6  1  0.74666500  0.25748100  0.28763600  1
  Li  Li7  1  0.20378700  0.00000000  0.50000000  1
  Li  Li8  1  0.74666500  0.74251900  0.71236400  1
  Li  Li9  1  0.74666500  0.25748100  0.71236400  1
  Fe  Fe10  1  0.77144500  0.00000000  0.00000000  1
  Fe  Fe11  1  0.22855500  0.50000000  0.50000000  1
  S  S12  1  0.98404500  0.00000000  0.76074000  1
  S  S13  1  0.55708700  0.75589300  0.00000000  1
  S  S14  1  0.55708700  0.24410700  0.00000000  1
  S  S15  1  0.98404500  0.00000000  0.23926000  1
  S  S16  1  0.01595500  0.50000000  0.26074000  1
  S  S17  1  0.44291300  0.74410700  0.50000000  1
  S  S18  1  0.44291300  0.25589300  0.50000000  1
  S  S19  1  0.01595500  0.50000000  0.73926000  1
