# generated using pymatgen
data_Li5FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66216326
_cell_length_b   7.66216326
_cell_length_c   7.66216326
_cell_angle_alpha   151.98557379
_cell_angle_beta   127.74709746
_cell_angle_gamma   60.32981558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeS4
_chemical_formula_sum   'Li5 Fe1 S4'
_cell_volume   165.81232614
_cell_formula_units_Z   1
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  0.39413500  0.17638900  0.21774600  1
  Li  Li1  1  0.95864300  0.17638900  0.78225400  1
  Li  Li2  1  0.04135700  0.82361100  0.21774600  1
  Li  Li3  1  0.60586500  0.82361100  0.78225400  1
  Li  Li4  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  S  S6  1  0.75274300  0.00000000  0.75274300  1
  S  S7  1  0.20355400  0.70355400  0.50000000  1
  S  S8  1  0.79644600  0.29644600  0.50000000  1
  S  S9  1  0.24725700  0.00000000  0.24725700  1
