# generated using pymatgen
data_Li2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38899900
_cell_length_b   3.37565800
_cell_length_c   6.20889840
_cell_angle_alpha   71.60021201
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeS2
_chemical_formula_sum   'Li4 Fe2 S4'
_cell_volume   166.83729430
_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  0.15153100  0.69158300  0.54224500  1
  Li  Li1  1  0.65153100  0.30841700  0.95775500  1
  Li  Li2  1  0.34846900  0.69158300  0.04224500  1
  Li  Li3  1  0.84846900  0.30841700  0.45775500  1
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  S  S6  1  0.89852000  0.63118300  0.76187700  1
  S  S7  1  0.60148000  0.63118300  0.26187700  1
  S  S8  1  0.39852000  0.36881700  0.73812300  1
  S  S9  1  0.10148000  0.36881700  0.23812300  1
